Information card for entry 2214367

Structure parameters

• Chemical name: 5-(4-Methoxyphenyl)-3,3-dimethyl-2,3,4,5-tetrahydro-1H-benzo[b]carbazole-1,6,11-trione chloroform solvate
• Formula: C26 H22 Cl3 N O4
• Calculated formula: C26 H22 Cl3 N O4
• SMILES: ClC(Cl)Cl.O=C1c2c(C(=O)c3n(c4CC(CC(=O)c4c13)(C)C)c1ccc(cc1)OC)cccc2
• Title of publication: 5-(4-Methoxyphenyl)-3,3-dimethyl-2,3,4,5-tetrahydro-1<i>H</i>-benzo[<i>b</i>]carbazole-1,6,11-trione chloroform solvate
• Authors of publication: Hoong-Kun Fun; Suchada Chantrapromma; 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: o3236 - o3237
• a: 8.9167 ± 0.0005 Å
• b: 10.1639 ± 0.0005 Å
• c: 14.355 ± 0.0008 Å
• α: 71.547 ± 0.003°
• β: 72.281 ± 0.003°
• γ: 85.367 ± 0.003°
• Cell volume: 1175.36 ± 0.11 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes