Information card for entry 2013500

Structure parameters

• Formula: C34 H28 O2
• Calculated formula: C34 H28 O2
• SMILES: Cc1cc(C)cc(c1)[C@@H]1/C(=C2/[C@H](c3cc(C)cc(c3)C)c3c(C2=O)cccc3)C(=O)c2c1cccc2
• Title of publication: <i>rac</i>- and <i>meso</i>-3,3'-Bis(3,5-dimethylphenyl)-3<i>H</i>,3'<i>H</i>-2,2'-biindenylidene-1,1'(2<i>H</i>,2'<i>H</i>)-dione
• Authors of publication: Ohba, Shigeru; Yamamoto, Yohei; Tanaka, Koichi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: o370 - o372
• a: 19.23 ± 0.002 Å
• b: 8.0506 ± 0.001 Å
• c: 8.4461 ± 0.0011 Å
• α: 90°
• β: 98.802 ± 0.01°
• γ: 90°
• Cell volume: 1292.2 ± 0.3 ų
• Cell temperature: 298 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.1945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.21
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes