Information card for entry 2228047

Structure parameters

• Chemical name: 5-(4-Methylphenyl)-2,3-diphenyl-5,6-dihydroimidazo[1,2-<i>c</i>]quinazoline
• Formula: C29 H23 N3
• Calculated formula: C29 H23 N3
• SMILES: N1C(n2c(c(nc2c2ccccc12)c1ccccc1)c1ccccc1)c1ccc(cc1)C
• Title of publication: 5-(4-Methylphenyl)-2,3-diphenyl-5,6-dihydroimidazo[1,2-<i>c</i>]quinazoline
• Authors of publication: Zhang, Jiankang; Qin, Xiaofen; Zhou, Xingqin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2720
• a: 16.006 ± 0.004 Å
• b: 11.382 ± 0.003 Å
• c: 11.906 ± 0.003 Å
• α: 90°
• β: 91.81 ± 0.004°
• γ: 90°
• Cell volume: 2168 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• 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: 0.1022
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1456
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes