Information card for entry 2216357

Structure parameters

• Chemical name: 8-(4-Chlorophenyl)-11,11-dimethyl-5,9-dioxo-6,8,9,10,11,12-hexahydro- 5<i>H</i>-quinolino[1,2-<i>a</i>]quinazoline-7-carbonitrile <i>N</i>,<i>N</i>-dimethylformamide solvate
• Formula: C28 H27 Cl N4 O3
• Calculated formula: C28 H27 Cl N4 O3
• SMILES: Clc1ccc(C2C(=C3N(C4=C2C(=O)CC(C4)(C)C)c2c(C(=O)N3)cccc2)C#N)cc1.N(C=O)(C)C
• Title of publication: 8-(4-Chlorophenyl)-11,11-dimethyl-5,9-dioxo-6,8,9,10,11,12-hexahydro-5<i>H</i>-quinolino[1,2-<i>a</i>]quinazoline-7-carbonitrile <i>N</i>,<i>N</i>-dimethylformamide solvate
• Authors of publication: Hong Jiang; Shanshan Wu; Chunmei Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4531 - o4531
• a: 36.34 ± 0.015 Å
• b: 11.78 ± 0.005 Å
• c: 11.87 ± 0.005 Å
• α: 90°
• β: 102.714 ± 0.005°
• γ: 90°
• Cell volume: 4957 ± 4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1448
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.1776
• Weighted residual factors for all reflections included in the refinement: 0.2164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes