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Absolute structure - Revision history
2024-03-28T15:59:34Z
Revision history for this page on the wiki
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https://dictionary.iucr.org/index.php?title=Absolute_structure&diff=4659&oldid=prev
BrianMcMahon: Tidied translations.
2017-11-27T15:30:22Z
<p>Tidied translations.</p>
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<td colspan="2" style="background-color: white; color:black; text-align: center;">Revision as of 15:30, 27 November 2017</td>
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<tr><td class='diff-marker'>−</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div><<del class="diffchange diffchange-inline">Font </del>color="blue">Structure absolue</<del class="diffchange diffchange-inline">Font</del>> (''Fr''). <<del class="diffchange diffchange-inline">Font </del>color="red">Absolute Struktur</<del class="diffchange diffchange-inline">Font</del>> (''Ge''). <<del class="diffchange diffchange-inline">Font </del>color="black">Struttura assoluta</<del class="diffchange diffchange-inline">Font</del>>(''It''). <<del class="diffchange diffchange-inline">Font </del>color="purple">絶対構造</<del class="diffchange diffchange-inline">Font</del>>(''Ja''). <<del class="diffchange diffchange-inline">Font </del>color="green">Estructura absoluta</<del class="diffchange diffchange-inline">Font</del>>(''Sp'').</div></td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><<ins class="diffchange diffchange-inline">font </ins>color="blue">Structure absolue</<ins class="diffchange diffchange-inline">font</ins>> (''Fr''). <<ins class="diffchange diffchange-inline">font </ins>color="red">Absolute Struktur</<ins class="diffchange diffchange-inline">font</ins>> (''Ge''). <<ins class="diffchange diffchange-inline">font </ins>color="black">Struttura assoluta</<ins class="diffchange diffchange-inline">font</ins>> (''It''). <<ins class="diffchange diffchange-inline">font </ins>color="purple">絶対構造</<ins class="diffchange diffchange-inline">font</ins>> (''Ja''). <<ins class="diffchange diffchange-inline">font </ins>color="green">Estructura absoluta</<ins class="diffchange diffchange-inline">font</ins>> (''Sp'').</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>== Definition ==</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>== Definition ==</div></td></tr>
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BrianMcMahon
https://dictionary.iucr.org/index.php?title=Absolute_structure&diff=4360&oldid=prev
BrianMcMahon: Tidied translations and added German (U. Mueller)
2017-11-08T17:24:35Z
<p>Tidied translations and added German (U. Mueller)</p>
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<td colspan="2" style="background-color: white; color:black; text-align: center;">Revision as of 17:24, 8 November 2017</td>
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<tr><td class='diff-marker'>−</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div><Font color="blue"> Structure absolue </Font> (''Fr''). <Font color="<del class="diffchange diffchange-inline">green</del>"> <del class="diffchange diffchange-inline">Estructura absoluta</del></Font> (''<del class="diffchange diffchange-inline">Sp</del>''). <Font color="black"> Struttura assoluta </Font>(''It''). <Font color="purple"> 絶対構造 </Font>(''Ja'').</div></td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><Font color="blue">Structure absolue</Font> (''Fr''). <Font color="<ins class="diffchange diffchange-inline">red</ins>"><ins class="diffchange diffchange-inline">Absolute Struktur</ins></Font> (''<ins class="diffchange diffchange-inline">Ge</ins>''). <Font color="black">Struttura assoluta</Font>(''It''). <Font color="purple">絶対構造</Font>(''Ja''). <ins class="diffchange diffchange-inline"><Font color="green">Estructura absoluta</Font>(''Sp'').</ins></div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div> </div></td><td colspan="2"> </td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>== Definition ==</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>== Definition ==</div></td></tr>
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BrianMcMahon
https://dictionary.iucr.org/index.php?title=Absolute_structure&diff=3907&oldid=prev
BrianMcMahon: Style edits to align with printed edition
2017-05-12T10:50:03Z
<p>Style edits to align with printed edition</p>
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<td colspan="2" style="background-color: white; color:black; text-align: center;">Revision as of 10:50, 12 May 2017</td>
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<tr><td class='diff-marker'>−</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div><Font color="blue"> Structure absolue </Font> (''Fr''). <Font color="green"> Estructura absoluta</Font> (''Sp''). <Font color="black"> Struttura assoluta </Font>(''It''). <Font color="purple"> 絶対構造 </Font>(''Ja'')</div></td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><Font color="blue"> Structure absolue </Font> (''Fr''). <Font color="green"> Estructura absoluta</Font> (''Sp''). <Font color="black"> Struttura assoluta </Font>(''It''). <Font color="purple"> 絶対構造 </Font>(''Ja'')<ins class="diffchange diffchange-inline">.</ins></div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l12" >Line 12:</td>
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<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>== Physical origin of absolute structure ==</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>== Physical origin of absolute structure ==</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>The need for special treatment of absolute structure in crystal-structure analysis arises from two phenomena. <del class="diffchange diffchange-inline"> </del>The first of these is that the point-group symmetry of a crystalline lattice of translations is always centrosymmetric regardless of whether the point symmetry of the crystal structure itself is centrosymmetric or non-centrosymmetric.  Consequently the '''positions''' of the Bragg reflections on a diffractogram from a single crystal are always arranged centrosymmetrically. Thus one can only distinguish a non-centrosymmetric crystal structure from its inversion-related image by referring to the intensities of the Bragg reflections. The second factor concerns the intensity distribution on a diffractogram  from a non-centrosymmetric crystal structure. This tends to be '''approximately''' centrosymmetric because the electron density is real (see [[Friedel's law]]).</div></td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>The need for special treatment of absolute structure in crystal-structure analysis arises from two phenomena. The first of these is that the point-group symmetry of a crystalline lattice of translations is always centrosymmetric regardless of whether the point symmetry of the crystal structure itself is centrosymmetric or non-centrosymmetric.  Consequently the '''positions''' of the Bragg reflections on a diffractogram from a single crystal are always arranged centrosymmetrically. Thus one can only distinguish a non-centrosymmetric crystal structure from its inversion-related image by referring to the intensities of the Bragg reflections. The second factor concerns the intensity distribution on a diffractogram  from a non-centrosymmetric crystal structure. This tends to be '''approximately''' centrosymmetric because the electron density is real (see [[Friedel's law]]).</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>== Determination of absolute structure ==</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>== Determination of absolute structure ==</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>The most common way of determining the absolute structure of a non-centrosymmetric crystal by way of X-ray diffraction is to exploit the intensity differences between inversion-related Bragg reflections ''h'' ''k'' ''l'' and ''-h'' ''-k'' ''-l'' by way of the [[Flack parameter]]. An important aspect, mentioned in the [[Absolute_structure#Definition|definition]] above, of the determination of absolute structure is the physical <del class="diffchange diffchange-inline">characterisation </del>of the crystal. Without this information an independent worker would be unable to know with adequate precision what sample had been used and its orientation in order to repeat and check  the absolute-structure determination. The physical <del class="diffchange diffchange-inline">characterisation </del>may take the form of suitable physical or morphological measurements on the crystal itself or even, in some circumstances, of measurements on a solution made from the single crystal.</div></td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>The most common way of determining the absolute structure of a non-centrosymmetric crystal by way of X-ray diffraction is to exploit the intensity differences between inversion-related Bragg reflections ''h'' ''k'' ''l'' and ''-h'' ''-k'' ''-l'' by way of the [[Flack parameter]]. An important aspect, mentioned in the [[Absolute_structure#Definition|definition]] above, of the determination of absolute structure is the physical <ins class="diffchange diffchange-inline">characterization </ins>of the crystal. Without this information an independent worker would be unable to know with adequate precision what sample had been used and its orientation in order to repeat and check  the absolute-structure determination. The physical <ins class="diffchange diffchange-inline">characterization </ins>may take the form of suitable physical or morphological measurements on the crystal itself or even, in some circumstances, of measurements on a solution made from the single crystal.</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>== Absolute structure versus absolute configuration ==</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>== Absolute structure versus absolute configuration ==</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>Absolute structure is to a crystal what absolute configuration is to a molecule. However the sense of absolute structure is wider because it applies to any non-centrosymmetric crystal structure whether it is chiral or achiral. Both absolute structure and absolute configuration describe certain aspects of the spatial arrangement of the atoms in their respective objects. However the object, its symmetry and the method of its specification are different. The table compares the two cases.   </div></td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>Absolute structure is to a crystal what absolute configuration is to a molecule. However the sense of absolute structure is wider because it applies to any non-centrosymmetric crystal structure whether it is chiral or achiral. Both absolute structure and absolute configuration describe certain aspects of the spatial arrangement of the atoms in their respective objects. However<ins class="diffchange diffchange-inline">, </ins>the object, its symmetry and the method of its specification are different. The table compares the two cases.   </div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>{| cellpadding="3"</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>{| cellpadding="3"</div></td></tr>
<tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l66" >Line 66:</td>
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<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>== Determination of absolute configuration from absolute structure ==</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>== Determination of absolute configuration from absolute structure ==</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>One must first have a valid absolute-structure determination see [[Flack parameter]]. The most stringent requirement in order to deduce the absolute configuration of the molecules composing a crystal from an absolute-structure determination is that the crystal structure be composed of enantiopure (chiral) molecules. Experimental evidence should be provided of the enantiopurity of the crystal or of the bulk. Some necessary but not-sufficient requirements are easier to apply. The crystal structure should be chiral. A chiral crystal structure displays a space group that only contains translations, pure rotations and screw rotations, and does not contain any reflections, inversions, rotoinversions or glide reflections ([[Sohncke groups]]). Another necessary but not-sufficient condition is that the crystal structure contains chiral molecules.</div></td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>One must first have a valid absolute-structure determination <ins class="diffchange diffchange-inline">(</ins>see [[Flack parameter]]<ins class="diffchange diffchange-inline">)</ins>. The most stringent requirement in order to deduce the absolute configuration of the molecules composing a crystal from an absolute-structure determination is that the crystal structure be composed of enantiopure (chiral) molecules. Experimental evidence should be provided of the enantiopurity of the crystal or of the bulk. Some necessary but not-sufficient requirements are easier to apply. The crystal structure should be chiral. A chiral crystal structure displays a space group that only contains translations, pure rotations and screw rotations, and does not contain any reflections, inversions, rotoinversions or glide reflections ([[Sohncke groups]]). Another necessary but not-sufficient condition is that the crystal structure contains chiral molecules.</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>== Related chemical terms ==</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>== Related chemical terms ==</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>The [http://www.chem.qmul.ac.uk/iupac/stereo/ IUPAC ''Basic Terminology of Stereochemistry''] contains definitions of related chemical terms of use to the crystallographer, ''viz'': [http://www.chem.qmul.ac.uk/iupac/stereo/A.html#01 ''absolute configuration''], [http://www.chem.qmul.ac.uk/iupac/stereo/BC.html#16 ''chiral''], [http://www.chem.qmul.ac.uk/iupac/stereo/BC.html#17 ''chirality''], [http://www.chem.qmul.ac.uk/iupac/stereo/BC.html#22 ''chirality sense''], [http://www.chem.qmul.ac.uk/iupac/stereo/DE.html#24 ''enantiomer''], [http://www.chem.qmul.ac.uk/iupac/stereo/DE.html#28 ''enantiomerically pure''], [http://www.chem.qmul.ac.uk/iupac/stereo/DE.html#32  ''enantiomorph''], [http://www.chem.qmul.ac.uk/iupac/stereo/RS.html#06 ''racemate''], [http://www.chem.qmul.ac.uk/iupac/stereo/RS.html#07 ''racemic''], [http://www.chem.qmul.ac.uk/iupac/stereo/RS.html#09 ''racemic conglomerate''] and [http://www.chem.qmul.ac.uk/iupac/stereo/RS.html#14 ''relative configuration''].</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>The [http://www.chem.qmul.ac.uk/iupac/stereo/ IUPAC ''Basic Terminology of Stereochemistry''] contains definitions of related chemical terms of use to the crystallographer, ''viz'': [http://www.chem.qmul.ac.uk/iupac/stereo/A.html#01 ''absolute configuration''], [http://www.chem.qmul.ac.uk/iupac/stereo/BC.html#16 ''chiral''], [http://www.chem.qmul.ac.uk/iupac/stereo/BC.html#17 ''chirality''], [http://www.chem.qmul.ac.uk/iupac/stereo/BC.html#22 ''chirality sense''], [http://www.chem.qmul.ac.uk/iupac/stereo/DE.html#24 ''enantiomer''], [http://www.chem.qmul.ac.uk/iupac/stereo/DE.html#28 ''enantiomerically pure''], [http://www.chem.qmul.ac.uk/iupac/stereo/DE.html#32  ''enantiomorph''], [http://www.chem.qmul.ac.uk/iupac/stereo/RS.html#06 ''racemate''], [http://www.chem.qmul.ac.uk/iupac/stereo/RS.html#07 ''racemic''], [http://www.chem.qmul.ac.uk/iupac/stereo/RS.html#09 ''racemic conglomerate''] and [http://www.chem.qmul.ac.uk/iupac/stereo/RS.html#14 ''relative configuration''].</div></td></tr>
<tr><td colspan="2"> </td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;"></ins></div></td></tr>
<tr><td colspan="2"> </td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;">==Reference==</ins></div></td></tr>
<tr><td colspan="2"> </td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;">IUPAC(1996). ''Basic Terminology of Stereochemistry.'' http://www.chem.qmul.ac.uk/iupac/stereo</ins></div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>[[Category:Fundamental crystallography]]</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>[[Category:Fundamental crystallography]]</div></td></tr>
</table>
BrianMcMahon
https://dictionary.iucr.org/index.php?title=Absolute_structure&diff=3519&oldid=prev
MassimoNespolo: links, one typo
2015-03-14T15:47:47Z
<p>links, one typo</p>
<table class="diff diff-contentalign-left" data-mw="interface">
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<td colspan="2" style="background-color: white; color:black; text-align: center;">← Older revision</td>
<td colspan="2" style="background-color: white; color:black; text-align: center;">Revision as of 15:47, 14 March 2015</td>
</tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l4" >Line 4:</td>
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<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>== Definition ==</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>== Definition ==</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>The spatial arrangement of the atoms of a physically identified non-centrosymmetric crystal and its description by way of unit<del class="diffchange diffchange-inline">-</del>cell dimensions, space group, and representative coordinates of all atoms.</div></td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>The spatial arrangement of the atoms of a physically identified non-centrosymmetric <ins class="diffchange diffchange-inline">[[</ins>crystal<ins class="diffchange diffchange-inline">]] </ins>and its description by way of <ins class="diffchange diffchange-inline">[[</ins>unit cell<ins class="diffchange diffchange-inline">]] </ins>dimensions, <ins class="diffchange diffchange-inline">[[</ins>space group<ins class="diffchange diffchange-inline">]]</ins>, and representative coordinates of all atoms.</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>== Absolute structure is an orientation ==</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>== Absolute structure is an orientation ==</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>Absolute structure is a specification of the orientation of a non-centrosymmetric crystal structure under the operation of inversion through a point otherwise known as parity (P). A centrosymmetric crystal structure is invariant under P and there is no absolute structure to specify. For a chiral crystal structure, which is necessarily non-centrosymmetric, absolute structure distinguishes between and specifies enantiomorphs of the crystal structure. For an achiral non-centrosymmetric crystal structure there are no enantiomorphs and the inversion-related crystal structures may be brought into coincidence by translation and pure rotation. In this case the inversion is always equivalent to a pure rotation.</div></td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>Absolute structure is a specification of the orientation of a non-centrosymmetric <ins class="diffchange diffchange-inline">[[</ins>crystal structure<ins class="diffchange diffchange-inline">]] </ins>under the operation of inversion through a point otherwise known as parity (P). A centrosymmetric crystal structure is invariant under P and there is no absolute structure to specify. For a <ins class="diffchange diffchange-inline">[[chirality|</ins>chiral crystal<ins class="diffchange diffchange-inline">]] </ins>structure, which is necessarily non-centrosymmetric, absolute structure distinguishes between and specifies enantiomorphs of the crystal structure. For an achiral non-centrosymmetric crystal structure there are no enantiomorphs and the inversion-related crystal structures may be brought into coincidence by translation and pure rotation. In this case the inversion is always equivalent to a pure rotation.</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>== Physical origin of absolute structure ==</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>== Physical origin of absolute structure ==</div></td></tr>
<tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l16" >Line 16:</td>
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<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>== Determination of absolute structure ==</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>== Determination of absolute structure ==</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>The most common way of determining the absolute structure of a non-centrosymmetric crystal by way of X-ray diffraction is to exploit the intensity differences between inversion-related Bragg reflections ''h'' ''k'' ''l'' and ''-h'' ''-k'' ''-l'' by way of the [[Flack parameter]]. An important aspect, <del class="diffchange diffchange-inline">mentionned </del>in the [<del class="diffchange diffchange-inline">http://reference.iucr.org/dictionary/</del>Absolute_structure#Definition definition] above, of the determination of absolute structure is the physical characterisation of the crystal. Without this information an independent worker would be unable to know with adequate precision what sample had been used and its orientation in order to repeat and check  the absolute-structure determination. The physical characterisation may take the form of suitable physical or morphological measurements on the crystal itself or even, in some circumstances, of measurements on a solution made from the single crystal.</div></td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>The most common way of determining the absolute structure of a non-centrosymmetric crystal by way of X-ray diffraction is to exploit the intensity differences between inversion-related Bragg reflections ''h'' ''k'' ''l'' and ''-h'' ''-k'' ''-l'' by way of the [[Flack parameter]]. An important aspect, <ins class="diffchange diffchange-inline">mentioned </ins>in the [<ins class="diffchange diffchange-inline">[</ins>Absolute_structure#Definition<ins class="diffchange diffchange-inline">|</ins>definition<ins class="diffchange diffchange-inline">]</ins>] above, of the determination of absolute structure is the physical characterisation of the crystal. Without this information an independent worker would be unable to know with adequate precision what sample had been used and its orientation in order to repeat and check  the absolute-structure determination. The physical characterisation may take the form of suitable physical or morphological measurements on the crystal itself or even, in some circumstances, of measurements on a solution made from the single crystal.</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>== Absolute structure versus absolute configuration ==</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>== Absolute structure versus absolute configuration ==</div></td></tr>
<tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l66" >Line 66:</td>
<td colspan="2" class="diff-lineno">Line 66:</td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>== Determination of absolute configuration from absolute structure ==</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>== Determination of absolute configuration from absolute structure ==</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>One must first have a valid absolute-structure determination see [[Flack parameter]]. The most stringent requirement in order to deduce the absolute configuration of the molecules composing a crystal from an absolute-structure determination is that the crystal structure be composed of enantiopure (chiral) molecules. Experimental evidence should be provided of the enantiopurity of the crystal or of the bulk. Some necessary but not-sufficient requirements are easier to apply. The crystal structure should be chiral. A chiral crystal structure displays a space group that only contains translations, pure rotations and screw rotations, and does not contain any reflections, inversions, rotoinversions or glide reflections. Another necessary but not-sufficient condition is that the crystal structure contains chiral molecules.</div></td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>One must first have a valid absolute-structure determination see [[Flack parameter]]. The most stringent requirement in order to deduce the absolute configuration of the molecules composing a crystal from an absolute-structure determination is that the crystal structure be composed of enantiopure (chiral) molecules. Experimental evidence should be provided of the enantiopurity of the crystal or of the bulk. Some necessary but not-sufficient requirements are easier to apply. The crystal structure should be chiral. A chiral crystal structure displays a space group that only contains translations, pure rotations and screw rotations, and does not contain any reflections, inversions, rotoinversions or glide reflections <ins class="diffchange diffchange-inline">([[Sohncke groups]])</ins>. Another necessary but not-sufficient condition is that the crystal structure contains chiral molecules.</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>== Related chemical terms ==</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>== Related chemical terms ==</div></td></tr>
</table>
MassimoNespolo
https://dictionary.iucr.org/index.php?title=Absolute_structure&diff=3503&oldid=prev
MassimoNespolo: Ja
2015-03-04T05:43:01Z
<p>Ja</p>
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<tr><td class='diff-marker'>−</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div><Font color="blue"> Structure absolue </Font> (''Fr''). <Font color="green"> Estructura absoluta</Font> (''Sp''). <Font color="black"> Struttura assoluta </Font>(''It'')</div></td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><Font color="blue"> Structure absolue </Font> (''Fr''). <Font color="green"> Estructura absoluta</Font> (''Sp''). <Font color="black"> Struttura assoluta </Font>(''It<ins class="diffchange diffchange-inline">''). <Font color="purple"> 絶対構造 </Font>(''Ja</ins>'')</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
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</table>
MassimoNespolo
https://dictionary.iucr.org/index.php?title=Absolute_structure&diff=3359&oldid=prev
HowardFlack: /* Physical origin of absolute structure */
2013-10-11T14:17:21Z
<p><span dir="auto"><span class="autocomment">Physical origin of absolute structure</span></span></p>
<table class="diff diff-contentalign-left" data-mw="interface">
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<td colspan="2" style="background-color: white; color:black; text-align: center;">Revision as of 14:17, 11 October 2013</td>
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<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>== Physical origin of absolute structure ==</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>== Physical origin of absolute structure ==</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>The need for special treatment of absolute structure in crystal-structure analysis arises from two phenomena.  The first of these is that the point-group symmetry of a crystalline lattice of translations is always centrosymmetric regardless of whether the point symmetry of the crystal structure itself is centrosymmetric or non-centrosymmetric.  Consequently the '''positions'''of the Bragg reflections on a diffractogram from a single crystal are always arranged centrosymmetrically. Thus one can only distinguish a non-centrosymmetric crystal structure from its inversion-related image by referring to the intensities of the Bragg reflections. The second factor concerns the intensity distribution on a diffractogram  from a non-centrosymmetric crystal structure. This tends to be '''approximately''' centrosymmetric because the electron density is real (see [[Friedel's law]]).</div></td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>The need for special treatment of absolute structure in crystal-structure analysis arises from two phenomena.  The first of these is that the point-group symmetry of a crystalline lattice of translations is always centrosymmetric regardless of whether the point symmetry of the crystal structure itself is centrosymmetric or non-centrosymmetric.  Consequently the '''positions''' of the Bragg reflections on a diffractogram from a single crystal are always arranged centrosymmetrically. Thus one can only distinguish a non-centrosymmetric crystal structure from its inversion-related image by referring to the intensities of the Bragg reflections. The second factor concerns the intensity distribution on a diffractogram  from a non-centrosymmetric crystal structure. This tends to be '''approximately''' centrosymmetric because the electron density is real (see [[Friedel's law]]).</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>== Determination of absolute structure ==</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>== Determination of absolute structure ==</div></td></tr>
</table>
HowardFlack
https://dictionary.iucr.org/index.php?title=Absolute_structure&diff=3158&oldid=prev
BrianMcMahon at 15:51, 3 February 2012
2012-02-03T15:51:19Z
<p></p>
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<td colspan="2" style="background-color: white; color:black; text-align: center;">Revision as of 15:51, 3 February 2012</td>
</tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l71" >Line 71:</td>
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<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>The [http://www.chem.qmul.ac.uk/iupac/stereo/ IUPAC ''Basic Terminology of Stereochemistry''] contains definitions of related chemical terms of use to the crystallographer, ''viz'': [http://www.chem.qmul.ac.uk/iupac/stereo/A.html#01 ''absolute configuration''], [http://www.chem.qmul.ac.uk/iupac/stereo/BC.html#16 ''chiral''], [http://www.chem.qmul.ac.uk/iupac/stereo/BC.html#17 ''chirality''], [http://www.chem.qmul.ac.uk/iupac/stereo/BC.html#22 ''chirality sense''], [http://www.chem.qmul.ac.uk/iupac/stereo/DE.html#24 ''enantiomer''], [http://www.chem.qmul.ac.uk/iupac/stereo/DE.html#28 ''enantiomerically pure''], [http://www.chem.qmul.ac.uk/iupac/stereo/DE.html#32  ''enantiomorph''], [http://www.chem.qmul.ac.uk/iupac/stereo/RS.html#06 ''racemate''], [http://www.chem.qmul.ac.uk/iupac/stereo/RS.html#07 ''racemic''], [http://www.chem.qmul.ac.uk/iupac/stereo/RS.html#09 ''racemic conglomerate''] and [http://www.chem.qmul.ac.uk/iupac/stereo/RS.html#14 ''relative configuration''].</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>The [http://www.chem.qmul.ac.uk/iupac/stereo/ IUPAC ''Basic Terminology of Stereochemistry''] contains definitions of related chemical terms of use to the crystallographer, ''viz'': [http://www.chem.qmul.ac.uk/iupac/stereo/A.html#01 ''absolute configuration''], [http://www.chem.qmul.ac.uk/iupac/stereo/BC.html#16 ''chiral''], [http://www.chem.qmul.ac.uk/iupac/stereo/BC.html#17 ''chirality''], [http://www.chem.qmul.ac.uk/iupac/stereo/BC.html#22 ''chirality sense''], [http://www.chem.qmul.ac.uk/iupac/stereo/DE.html#24 ''enantiomer''], [http://www.chem.qmul.ac.uk/iupac/stereo/DE.html#28 ''enantiomerically pure''], [http://www.chem.qmul.ac.uk/iupac/stereo/DE.html#32  ''enantiomorph''], [http://www.chem.qmul.ac.uk/iupac/stereo/RS.html#06 ''racemate''], [http://www.chem.qmul.ac.uk/iupac/stereo/RS.html#07 ''racemic''], [http://www.chem.qmul.ac.uk/iupac/stereo/RS.html#09 ''racemic conglomerate''] and [http://www.chem.qmul.ac.uk/iupac/stereo/RS.html#14 ''relative configuration''].</div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div><del style="font-weight: bold; text-decoration: none;"></del></div></td><td colspan="2"> </td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div><del style="font-weight: bold; text-decoration: none;"></del></div></td><td colspan="2"> </td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div><del style="font-weight: bold; text-decoration: none;"></del></div></td><td colspan="2"> </td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div><del style="font-weight: bold; text-decoration: none;">----</del></div></td><td colspan="2"> </td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>[[Category:Fundamental crystallography]]</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>[[Category:Fundamental crystallography]]</div></td></tr>
</table>
BrianMcMahon
https://dictionary.iucr.org/index.php?title=Absolute_structure&diff=3155&oldid=prev
BrianMcMahon: /* Absolute structure versus absolute configuration */
2012-02-03T15:44:00Z
<p><span dir="auto"><span class="autocomment">Absolute structure versus absolute configuration</span></span></p>
<table class="diff diff-contentalign-left" data-mw="interface">
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<td colspan="2" style="background-color: white; color:black; text-align: center;">Revision as of 15:44, 3 February 2012</td>
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<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>Absolute structure is to a crystal what absolute configuration is to a molecule. However the sense of absolute structure is wider because it applies to any non-centrosymmetric crystal structure whether it is chiral or achiral. Both absolute structure and absolute configuration describe certain aspects of the spatial arrangement of the atoms in their respective objects. However the object, its symmetry and the method of its specification are different. The table compares the two cases.   </div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>Absolute structure is to a crystal what absolute configuration is to a molecule. However the sense of absolute structure is wider because it applies to any non-centrosymmetric crystal structure whether it is chiral or achiral. Both absolute structure and absolute configuration describe certain aspects of the spatial arrangement of the atoms in their respective objects. However the object, its symmetry and the method of its specification are different. The table compares the two cases.   </div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div><del class="diffchange diffchange-inline">                </del>Absolute Structure <del class="diffchange diffchange-inline">      </del>Absolute Configuration</div></td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins class="diffchange diffchange-inline">{| cellpadding="3"</ins></div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div><del class="diffchange diffchange-inline"> </del>Property <del class="diffchange diffchange-inline">      </del>spatial  arrangement <del class="diffchange diffchange-inline">      </del>spatial  arrangement</div></td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins class="diffchange diffchange-inline">|-</ins></div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div><del class="diffchange diffchange-inline"> </del>Content <del class="diffchange diffchange-inline">              </del>atoms <del class="diffchange diffchange-inline">                      </del>atoms</div></td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins class="diffchange diffchange-inline">!              </ins></div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div><del class="diffchange diffchange-inline"> </del>Object <del class="diffchange diffchange-inline">              </del>crystal <del class="diffchange diffchange-inline">                    </del>molecule</div></td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins class="diffchange diffchange-inline">!  </ins>Absolute Structure <ins class="diffchange diffchange-inline">  </ins></div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>  <del class="diffchange diffchange-inline">Symmetry        </del>non-centrosymmetric <del class="diffchange diffchange-inline">              </del>chiral</div></td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins class="diffchange diffchange-inline">!    </ins>Absolute Configuration <ins class="diffchange diffchange-inline"> </ins></div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div><del class="diffchange diffchange-inline"> </del>Specification <del class="diffchange diffchange-inline">    </del>crystallographic <del class="diffchange diffchange-inline">          </del>stereochemical</div></td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins class="diffchange diffchange-inline">|-</ins></div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div><del class="diffchange diffchange-inline">                    </del>space group <del class="diffchange diffchange-inline">                  </del>CIP</div></td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins class="diffchange diffchange-inline">! scope="row" | </ins>Property <ins class="diffchange diffchange-inline">    </ins></div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div><del class="diffchange diffchange-inline">                  </del>cell dimensions</div></td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins class="diffchange diffchange-inline">| </ins>spatial  arrangement <ins class="diffchange diffchange-inline">  </ins></div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div><del class="diffchange diffchange-inline">                  </del>atomic coordinates</div></td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins class="diffchange diffchange-inline">|    </ins>spatial  arrangement <ins class="diffchange diffchange-inline">  </ins></div></td></tr>
<tr><td colspan="2"> </td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins class="diffchange diffchange-inline">|-</ins></div></td></tr>
<tr><td colspan="2"> </td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins class="diffchange diffchange-inline">! scope="row" | </ins>Content <ins class="diffchange diffchange-inline">      </ins></div></td></tr>
<tr><td colspan="2"> </td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins class="diffchange diffchange-inline">|        </ins>atoms <ins class="diffchange diffchange-inline">          </ins></div></td></tr>
<tr><td colspan="2"> </td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins class="diffchange diffchange-inline">|            </ins>atoms <ins class="diffchange diffchange-inline">          </ins></div></td></tr>
<tr><td colspan="2"> </td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins class="diffchange diffchange-inline">|-</ins></div></td></tr>
<tr><td colspan="2"> </td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins class="diffchange diffchange-inline">! scope="row" | </ins>Object <ins class="diffchange diffchange-inline">      </ins></div></td></tr>
<tr><td colspan="2"> </td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins class="diffchange diffchange-inline">|      </ins>crystal <ins class="diffchange diffchange-inline">        </ins></div></td></tr>
<tr><td colspan="2"> </td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins class="diffchange diffchange-inline">|          </ins>molecule <ins class="diffchange diffchange-inline">        </ins></div></td></tr>
<tr><td colspan="2"> </td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins class="diffchange diffchange-inline">|-</ins></div></td></tr>
<tr><td colspan="2"> </td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins class="diffchange diffchange-inline">! scope="row" | Symmetry      </ins></div></td></tr>
<tr><td colspan="2"> </td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins class="diffchange diffchange-inline">| </ins> non-centrosymmetric <ins class="diffchange diffchange-inline">  </ins></div></td></tr>
<tr><td colspan="2"> </td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins class="diffchange diffchange-inline">|            </ins>chiral <ins class="diffchange diffchange-inline">        </ins></div></td></tr>
<tr><td colspan="2"> </td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins class="diffchange diffchange-inline">|-</ins></div></td></tr>
<tr><td colspan="2"> </td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins class="diffchange diffchange-inline">! scope="row" | </ins>Specification  </div></td></tr>
<tr><td colspan="2"> </td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins class="diffchange diffchange-inline">|    </ins>crystallographic <ins class="diffchange diffchange-inline">  </ins></div></td></tr>
<tr><td colspan="2"> </td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins class="diffchange diffchange-inline">|        </ins>stereochemical <ins class="diffchange diffchange-inline">    </ins></div></td></tr>
<tr><td colspan="2"> </td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins class="diffchange diffchange-inline">|-</ins></div></td></tr>
<tr><td colspan="2"> </td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins class="diffchange diffchange-inline">|              </ins></div></td></tr>
<tr><td colspan="2"> </td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins class="diffchange diffchange-inline">|      </ins>space group <ins class="diffchange diffchange-inline">      </ins></div></td></tr>
<tr><td colspan="2"> </td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins class="diffchange diffchange-inline">|            </ins>CIP <ins class="diffchange diffchange-inline">          </ins></div></td></tr>
<tr><td colspan="2"> </td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins class="diffchange diffchange-inline">|-</ins></div></td></tr>
<tr><td colspan="2"> </td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins class="diffchange diffchange-inline">|              </ins></div></td></tr>
<tr><td colspan="2"> </td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins class="diffchange diffchange-inline">|    </ins>cell dimensions <ins class="diffchange diffchange-inline">    </ins></div></td></tr>
<tr><td colspan="2"> </td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins class="diffchange diffchange-inline">|                            </ins></div></td></tr>
<tr><td colspan="2"> </td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins class="diffchange diffchange-inline">|-</ins></div></td></tr>
<tr><td colspan="2"> </td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins class="diffchange diffchange-inline">|              </ins></div></td></tr>
<tr><td colspan="2"> </td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins class="diffchange diffchange-inline">|  </ins>atomic coordinates <ins class="diffchange diffchange-inline">  </ins></div></td></tr>
<tr><td colspan="2"> </td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins class="diffchange diffchange-inline">|                            </ins></div></td></tr>
<tr><td colspan="2"> </td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins class="diffchange diffchange-inline">|-</ins></div></td></tr>
<tr><td colspan="2"> </td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins class="diffchange diffchange-inline">|}</ins></div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>Whereas absolute configuration distinguishes between and specifies enantiomers (chiral molecules of opposite hand), absolute structure does the same for inversion-related models of the crystal structure. In the same way that there is no absolute configuration for an achiral molecule, there is no absolute structure for a centrosymmetric crystal structure.  </div></td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>Whereas absolute configuration distinguishes between and specifies enantiomers (chiral molecules of opposite hand), absolute structure does the same for inversion-related models of the crystal structure. In the same way that there is no absolute configuration for an achiral molecule, there is no absolute structure for a centrosymmetric crystal structure.</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>== Determination of absolute configuration from absolute structure ==</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>== Determination of absolute configuration from absolute structure ==</div></td></tr>
</table>
BrianMcMahon
https://dictionary.iucr.org/index.php?title=Absolute_structure&diff=1814&oldid=prev
GiovanniFerraris at 14:32, 28 March 2006
2006-03-28T14:32:27Z
<p></p>
<table class="diff diff-contentalign-left" data-mw="interface">
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<td colspan="2" style="background-color: white; color:black; text-align: center;">← Older revision</td>
<td colspan="2" style="background-color: white; color:black; text-align: center;">Revision as of 14:32, 28 March 2006</td>
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<tr><td class='diff-marker'>−</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div><Font color="blue"> Structure absolue </Font> (''Fr''). <Font color="green"> Estructura absoluta</Font> (''Sp'').  </div></td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><Font color="blue"> Structure absolue </Font> (''Fr''). <Font color="green"> Estructura absoluta</Font> (''Sp''). <ins class="diffchange diffchange-inline"><Font color="black"> Struttura assoluta </Font>(''It'')</ins></div></td></tr>
<tr><td colspan="2"> </td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div> </div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>== Definition ==</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>== Definition ==</div></td></tr>
</table>
GiovanniFerraris
https://dictionary.iucr.org/index.php?title=Absolute_structure&diff=1760&oldid=prev
AndreAuthier: /* Physical origin of absolute structure */
2006-03-23T16:46:19Z
<p><span dir="auto"><span class="autocomment">Physical origin of absolute structure</span></span></p>
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<td colspan="2" style="background-color: white; color:black; text-align: center;">Revision as of 16:46, 23 March 2006</td>
</tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l11" >Line 11:</td>
<td colspan="2" class="diff-lineno">Line 11:</td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>== Physical origin of absolute structure ==</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>== Physical origin of absolute structure ==</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>The need for special treatment of absolute structure in crystal-structure analysis arises from two phenomena.  The first of these is that the point-group symmetry of a crystalline lattice of translations is always centrosymmetric regardless of whether the point symmetry of the crystal structure itself is centrosymmetric or non-centrosymmetric.  Consequently the '''positions'''of the Bragg reflections on a diffractogram from a single crystal are always arranged centrosymmetrically. Thus one can only distinguish a non-centrosymmetric crystal structure from its inversion-related image by referring to the intensities of the Bragg reflections. The second factor concerns the intensity distribution on a diffractogram  from a non-centrosymmetric crystal structure. This tends to be '''approximately''' centrosymmetric because the electron density is real (see [[Friedel's <del class="diffchange diffchange-inline">Law</del>]]).  </div></td><td class='diff-marker'>+</td><td style="color:black; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>The need for special treatment of absolute structure in crystal-structure analysis arises from two phenomena.  The first of these is that the point-group symmetry of a crystalline lattice of translations is always centrosymmetric regardless of whether the point symmetry of the crystal structure itself is centrosymmetric or non-centrosymmetric.  Consequently the '''positions'''of the Bragg reflections on a diffractogram from a single crystal are always arranged centrosymmetrically. Thus one can only distinguish a non-centrosymmetric crystal structure from its inversion-related image by referring to the intensities of the Bragg reflections. The second factor concerns the intensity distribution on a diffractogram  from a non-centrosymmetric crystal structure. This tends to be '''approximately''' centrosymmetric because the electron density is real (see [[Friedel's <ins class="diffchange diffchange-inline">law</ins>]]).</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>== Determination of absolute structure ==</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>== Determination of absolute structure ==</div></td></tr>
</table>
AndreAuthier