Information card for entry 8102532

Structure parameters

• Chemical name: 3-(furan-2-yl)-5-(4-phenylphenyl)-1H-pyrazole, C~20~H~18~N~2~O~2~
• Formula: C20 H18 N2 O2
• Calculated formula: C20 H18 N2 O2
• Title of publication: Crystal structure of 3-(furan-2-yl)-5-(4-phenylphenyl)-1H-pyrazole — methanol (1:1), C19H14N2O · CH3OH
• Authors of publication: Chun-Yang Zheng; Ting-Quan Sun
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 1
• Pages of publication: 31
• a: 10.3615 ± 0.0018 Å
• b: 13.023 ± 0.002 Å
• c: 13.641 ± 0.002 Å
• α: 74.455 ± 0.003°
• β: 70.384 ± 0.003°
• γ: 79.281 ± 0.003°
• Cell volume: 1661.1 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0792
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1548
• Weighted residual factors for all reflections included in the refinement: 0.1616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No