Information card for entry 2207929

Structure parameters

• Chemical name: 5-Hydroxy-4-(4-methylbenzoyl)-1,3-diphenyl-1H-pyrazole
• Formula: C23 H18 N2 O2
• Calculated formula: C23 H18 N2 O2
• Title of publication: 5-Hydroxy-4-(4-methylbenzoyl)-1,3-diphenyl-1<i>H</i>-pyrazole
• Authors of publication: Liu, Guang-Fei; Peng, Bang-Hua; Liu, Lang; Jia, Dian-Zeng; Yu, Kai-Bei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o37 - o38
• a: 9.705 ± 0.001 Å
• b: 10.0821 ± 0.0009 Å
• c: 10.746 ± 0.001 Å
• α: 115.284 ± 0.008°
• β: 102.13 ± 0.01°
• γ: 91.61 ± 0.01°
• Cell volume: 921.21 ± 0.17 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes