Information card for entry 2212088

Structure parameters

• Chemical name: 3,3'-diphenylbi-1H-indene-1,1'-dione
• Formula: C30 H18 O2
• Calculated formula: C30 H18 O2
• SMILES: O=C1C(=C(c2c1cccc2)c1ccccc1)C1=C(c2c(C1=O)cccc2)c1ccccc1
• Title of publication: 3,3'-Diphenylbi-1<i>H</i>-indene-1,1'-dione
• Authors of publication: Xu Li; Jing-Jun Liu; Min Zhao; Yong-Ming Wang; Chun-Feng Xia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o436 - o437
• a: 14.5873 ± 0.0015 Å
• b: 16.8272 ± 0.0017 Å
• c: 17.574 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4313.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0583
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes