Information card for entry 2013499

Structure parameters

• Formula: C34 H28 O2
• Calculated formula: C34 H28 O2
• SMILES: O=C1/C(=C2/C(=O)c3c([C@@H]2c2cc(cc(c2)C)C)cccc3)[C@H](c2c1cccc2)c1cc(cc(c1)C)C.O=C1/C(=C2/C(=O)c3c([C@H]2c2cc(cc(c2)C)C)cccc3)[C@@H](c2c1cccc2)c1cc(cc(c1)C)C
• 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: 11.392 ± 0.002 Å
• b: 13.97 ± 0.0018 Å
• c: 9.2771 ± 0.0013 Å
• α: 97.705 ± 0.011°
• β: 109.95 ± 0.012°
• γ: 109.492 ± 0.011°
• Cell volume: 1256 ± 0.4 ų
• Cell temperature: 298 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.1542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No