Information card for entry 2214026

Structure parameters

• Chemical name: 5-(<i>p</i>-Fluorophenyl)-1,3-diphenyl-2-pyrazoline
• Formula: C21 H17 F N2
• Calculated formula: C21 H17 F N2
• SMILES: Fc1ccc(C2N(N=C(c3ccccc3)C2)c2ccccc2)cc1
• Title of publication: 5-(<i>p</i>-Fluorophenyl)-1,3-diphenyl-2-pyrazoline
• Authors of publication: Hong Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3280 - o3280
• a: 11.476 ± 0.005 Å
• b: 13.389 ± 0.005 Å
• c: 11.774 ± 0.004 Å
• α: 90°
• β: 111.653 ± 0.006°
• γ: 90°
• Cell volume: 1681.4 ± 1.1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• 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: 0.1147
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes