Information card for entry 2212102

Structure parameters

• Chemical name: 3,3'-Dibenzyl-3,3'-dihydroxy-[2,2'-bi-1H-indene]-1,1'-dione
• Formula: C32 H24 O4
• Calculated formula: C32 H24 O4
• SMILES: O=C1c2ccccc2[C@@](/C1=C1\C(=O)c2c([C@]1(O)Cc1ccccc1)cccc2)(O)Cc1ccccc1
• Title of publication: 3,3'-Dibenzyl-3,3'-dihydroxy-[2,2'-bi-1<i>H</i>-indene]-1,1'-dione
• Authors of publication: Hong-Min Zhao; Jing-Jun Liu; Jian Zhang; Shu-Ying Zhang; Xu Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o750 - o751
• a: 15.576 ± 0.006 Å
• b: 9.611 ± 0.004 Å
• c: 16.139 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2416 ± 1.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes