Information card for entry 2217742

Structure parameters

• Chemical name: 8,8-Dimethyl-5-(4-methylphenyl)-8,9-dihydropyrimido[4,5-b]quinoline- 2,4,6(1H,3H,7H)-trione N,N-dimethylformamide solvate
• Formula: C23 H26 N4 O4
• Calculated formula: C23 H26 N4 O4
• SMILES: O=C1NC(=O)c2c(c3C(=O)CC(C)(C)Cc3nc2N1)c1ccc(C)cc1.O=CN(C)C
• Title of publication: 8,8-Dimethyl-5-(4-methylphenyl)-8,9-dihydropyrimido[4,5-<i>b</i>]quinoline-2,4,6(1<i>H</i>,3<i>H</i>,7<i>H</i>)-trione <i>N</i>,<i>N</i>-dimethylformamide solvate
• Authors of publication: Wang, Jing; Ni, Sai-Nan; Shi, Daqing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: o606
• a: 8.8252 ± 0.0016 Å
• b: 10.289 ± 0.002 Å
• c: 12.316 ± 0.002 Å
• α: 95.898 ± 0.003°
• β: 93.115 ± 0.003°
• γ: 94.719 ± 0.003°
• Cell volume: 1106.4 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes