Information card for entry 2212595

Structure parameters

• Chemical name: 4-Benzyl-3,5-diphenyl-1<i>H</i>-pyrazole
• Formula: C22 H18 N2
• Calculated formula: C22 H18 N2
• SMILES: [nH]1nc(c(c1c1ccccc1)Cc1ccccc1)c1ccccc1
• Title of publication: 4-Benzyl-3,5-diphenyl-1<i>H</i>-pyrazole
• Authors of publication: Hai-Ping Huang; Qiong Wu; Li-Xia Liu; Qing-Fu Sun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1473 - o1474
• a: 9.6145 ± 0.0009 Å
• b: 18.755 ± 0.004 Å
• c: 10.887 ± 0.005 Å
• α: 90°
• β: 119.96 ± 0.02°
• γ: 90°
• Cell volume: 1700.8 ± 0.9 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0794
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes