Information card for entry 2220629

Structure parameters

• Chemical name: 3-(4-Biphenyl-1-yl)-3-hydroxy-1-phenylprop-2-en-1-one
• Formula: C21 H16 O2
• Calculated formula: C21 H16 O2
• SMILES: O=C(c1ccc(cc1)c1ccccc1)/C=C(/c1ccccc1)O
• Title of publication: 3-(4-Biphenyl-1-yl)-3-hydroxy-1-phenylprop-2-en-1-one
• Authors of publication: Zheng, Chunyang; Wang, Dunjia; Fan, Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o160 - o161
• a: 10.6087 ± 0.0013 Å
• b: 17.814 ± 0.002 Å
• c: 26.394 ± 0.003 Å
• α: 72.17 ± 0.002°
• β: 86.069 ± 0.002°
• γ: 89.45 ± 0.002°
• Cell volume: 4736.9 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1377
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes