Information card for entry 2215547

Structure parameters

• Chemical name: 8-(4-fluorophenyl)-11,11-dimethyl-5,9-dioxo-6,8,9,10,11,12-hexahydro-5H- quinolino[1,2-a]quinazoline-7-carbonitrile dimethylformamide solvate
• Formula: C28 H27 F N4 O3
• Calculated formula: C28 H27 F N4 O3
• SMILES: Fc1ccc(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-Fluorophenyl)-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 dimethylformamide solvate
• Authors of publication: Hong Jiang; Chunmei Li; Longji Cao; Dianxiang Zhou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o4133 - o4133
• a: 36.14 ± 0.015 Å
• b: 11.701 ± 0.005 Å
• c: 11.78 ± 0.005 Å
• α: 90°
• β: 103.122 ± 0.006°
• γ: 90°
• Cell volume: 4851 ± 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: 0.194
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1374
• Weighted residual factors for all reflections included in the refinement: 0.1905
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes