Information card for entry 2227230

Structure parameters

• Chemical name: 2-Anilino-3-(2-hydroxyphenyl)quinazolin-4(3<i>H</i>)-one– triphenylphosphine oxide (1/1)
• Formula: C38 H30 N3 O3 P
• Calculated formula: C38 H30 N3 O3 P
• SMILES: c12ccccc1nc(n(c2=O)c1c(cccc1)O)Nc1ccccc1.c1(ccccc1)P(=O)(c1ccccc1)c1ccccc1
• Title of publication: 2-Anilino-3-(2-hydroxyphenyl)quinazolin-4(3<i>H</i>)-one–triphenylphosphine oxide (1/1)
• Authors of publication: Wang, Hong-Ling; Chen, Xiao-Bao; Yang, Xu-Hong; Pan, Dong-Feng; Ma, Jun-Kai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2522
• a: 18.9139 ± 0.0003 Å
• b: 10.3201 ± 0.0002 Å
• c: 18.2145 ± 0.0003 Å
• α: 90°
• β: 117.771 ± 0.001°
• γ: 90°
• Cell volume: 3145.83 ± 0.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0628
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes