Information card for entry 2213130

Structure parameters

• Chemical name: 3-Benzoyl-1,2-diphenyl-1H-benzo[f]indole-4,9-dione
• Formula: C31 H19 N O3
• Calculated formula: C31 H19 N O3
• SMILES: O=C1c2ccccc2C(=O)c2c1n(c(c2C(=O)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: 3-Benzoyl-1,2-diphenyl-1<i>H</i>-benz[<i>f</i>]indole-4,9-dione
• Authors of publication: Yun Liu; Zhi-Feng Lu; Miao Ye; Yan Zhang; Jian-Hua Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2066 - o2067
• a: 10.481 ± 0.002 Å
• b: 10.916 ± 0.002 Å
• c: 11.948 ± 0.003 Å
• α: 63.29 ± 0.02°
• β: 68.99 ± 0.03°
• γ: 73.49 ± 0.03°
• Cell volume: 1127.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1509
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes