Information card for entry 2214432

Structure parameters

• Chemical name: 3,3-Dimethyl-5-phenyl-3,4-dihydro-1H-benzo[b]carbazole-1,6,11(2H,5H)-trione
• Formula: C24 H19 N O3
• Calculated formula: C24 H19 N O3
• SMILES: O=C1c2n(c3c(c2C(=O)c2c1cccc2)C(=O)CC(C3)(C)C)c1ccccc1
• Title of publication: 3,3-Dimethyl-5-phenyl-3,4-dihydro-1<i>H</i>-benzo[<i>b</i>]carbazole-1,6,11(2<i>H</i>,5<i>H</i>)-trione
• Authors of publication: Hoong-Kun Fun; Jeannie Bee-Jan Teh; Yun Liu; Jian-Hua Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3146 - o3146
• a: 10.0097 ± 0.0004 Å
• b: 10.3559 ± 0.0003 Å
• c: 18.803 ± 0.0006 Å
• α: 90°
• β: 113.032 ± 0.002°
• γ: 90°
• Cell volume: 1793.74 ± 0.11 ų
• Cell temperature: 105 ± 0.1 K
• Ambient diffraction temperature: 105 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes