Information card for entry 2210496

Structure parameters

• Chemical name: 3-(4-Fluorophenyl)-1,5-diphenyl-2-pyrazoline
• Formula: C21 H17 F N2
• Calculated formula: C21 H17 F N2
• SMILES: Fc1ccc(C2=NN(c3ccccc3)C(c3ccccc3)C2)cc1
• Title of publication: 3-(4-Fluorophenyl)-1,5-diphenyl-2-pyrazoline
• Authors of publication: Guo, Huan-Mei; Jian, Fang-Fang; Zhou, Li-You; Zhao, Pu-Su; Zheng, Jian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4337 - o4338
• a: 11.491 ± 0.002 Å
• b: 11.728 ± 0.002 Å
• c: 13.601 ± 0.003 Å
• α: 89.44 ± 0.03°
• β: 71.07 ± 0.03°
• γ: 76.07 ± 0.03°
• Cell volume: 1678.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1274
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes