Information card for entry 2202998

Structure parameters

• Chemical name: 9-Chloro-5,5-dimethyl-2,3-diphenyl-2,3-dihydroimidazo[1,2-c]quinazoline
• Formula: C24 H20 Cl N3
• Calculated formula: C24 H20 Cl N3
• SMILES: Clc1cc2c(NC(n3c2nc(c3c2ccccc2)c2ccccc2)(C)C)cc1
• Title of publication: 9-Chloro-5,5-dimethyl-2,3-diphenyl-2,3-dihydroimidazo[1,2-<i>c</i>]quinazoline
• Authors of publication: Shi, Daqing; Wang, Juxian; Shi, Chunling; Rong, Liangce; Wang, Xiangshan; Hu, Hongwen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: o1661 - o1662
• a: 8.955 ± 0.001 Å
• b: 17.568 ± 0.002 Å
• c: 13.075 ± 0.002 Å
• α: 90°
• β: 90.26 ± 0.01°
• γ: 90°
• Cell volume: 2057 ± 0.5 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: 0.0753
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 0.881
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes