Information card for entry 2226768

Structure parameters

• Chemical name: 2-[2-(2-Anilino-4-oxo-3,4-dihydroquinazolin-3-yl)phenoxy]-3- phenylquinazolin-4(3<i>H</i>)-one methanol hemisolvate
• Formula: C34.5 H25 N5 O3.5
• Calculated formula: C34.5 H25 N5 O3.5
• Title of publication: 2-[2-(2-Anilino-4-oxo-3,4-dihydroquinazolin-3-yl)phenoxy]-3-phenylquinazolin-4(3<i>H</i>)-one methanol hemisolvate
• Authors of publication: Gao, Tao; Chen, Xiao-Bao; Yang, Xu-Hong; Wang, Xiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2075 - o2076
• a: 24.268 ± 0.002 Å
• b: 16.5049 ± 0.0014 Å
• c: 15.2929 ± 0.0012 Å
• α: 90°
• β: 110.382 ± 0.001°
• γ: 90°
• Cell volume: 5741.9 ± 0.8 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• 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: 0.0851
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.2093
• Weighted residual factors for all reflections included in the refinement: 0.2282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes