Information card for entry 2213493

Structure parameters

• Chemical name: 3-Acetyl-1-(4-chlorophenyl)-2-methylbenzo[f]indole-4,9-dione
• Formula: C21 H14 Cl N O3
• Calculated formula: C21 H14 Cl N O3
• SMILES: Clc1ccc(cc1)n1c2C(=O)c3ccccc3C(=O)c2c(c1C)C(=O)C
• Title of publication: 3-Acetyl-1-(4-chlorophenyl)-2-methylbenzo[<i>f</i>]indole-4,9-dione
• 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: 5
• Pages of publication: o2314 - o2316
• a: 20.046 ± 0.0002 Å
• b: 11.6692 ± 0.0001 Å
• c: 7.0866 ± 0.0001 Å
• α: 90°
• β: 93.815 ± 0.001°
• γ: 90°
• Cell volume: 1654.03 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• 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: 0.0515
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes