Information card for entry 2236536

Structure parameters

• Chemical name: 12-(4-Methoxybenzoyl)-2-methylbenzo[<i>f</i>]pyrido[1,2-<i>a</i>]indole- 6,11-dione
• Formula: C25 H17 N O4
• Calculated formula: C25 H17 N O4
• SMILES: n12c3c(C(=O)c4c(C3=O)cccc4)c(C(=O)c3ccc(cc3)OC)c2cc(cc1)C
• Title of publication: 12-(4-Methoxybenzoyl)-2-methylbenzo[<i>f</i>]pyrido[1,2-<i>a</i>]indole-6,11-dione
• Authors of publication: Novina, J. Josephine; Vasuki, G.; Liu, Yun; Sun, Jin-Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o3040
• a: 8.1346 ± 0.0003 Å
• b: 23.2926 ± 0.0008 Å
• c: 10.1505 ± 0.0003 Å
• α: 90°
• β: 97.304 ± 0.002°
• γ: 90°
• Cell volume: 1907.67 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0649
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes