Information card for entry 2202726

Structure parameters

• Chemical name: 5,5-dimethyl-8,9-methylenedioxyl-2,3-diphenyl- 5,6-dihydroimidazo-[1,2-c]quinazoline
• Formula: C25 H21 N3 O2
• Calculated formula: C25 H21 N3 O2
• SMILES: O1COc2c1cc1NC(n3c(nc(c3c3ccccc3)c3ccccc3)c1c2)(C)C
• Title of publication: 5,5-Dimethyl-8,9-methylenedioxy-2,3-diphenyl-5,6-dihydroimidazo[1,2-<i>c</i>]quinazoline
• Authors of publication: Daqing Shi; Juxian Wang; Chunling Shi; Liangce Rong; Xiangshan Wang; Hongwen Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: o1843 - o1845
• a: 9.594 ± 0.002 Å
• b: 16.928 ± 0.004 Å
• c: 12.865 ± 0.003 Å
• α: 90°
• β: 95.73 ± 0.02°
• γ: 90°
• Cell volume: 2078.9 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1065
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 0.817
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes