Information card for entry 2214755

Structure parameters

• Chemical name: 3-(Biphenyl-1-yl)-1-(4-tert-butylphenyl)-3-hydroxyprop-2-en-1-one
• Formula: C25 H24 O2
• Calculated formula: C25 H24 O2
• SMILES: O/C(=C\C(=O)c1ccc(cc1)C(C)(C)C)/c1ccc(cc1)c1ccccc1
• Title of publication: 3-(Biphenyl-1-yl)-1-(4-<i>tert</i>-butylphenyl)-3-hydroxyprop-2-en-1-one
• Authors of publication: Chun-Yang Zheng; Jing Zheng; Dun-Jia Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3633 - o3633
• a: 6.5578 ± 0.0006 Å
• b: 11.3548 ± 0.0013 Å
• c: 14.156 ± 0.0013 Å
• α: 99.04 ± 0.002°
• β: 90.873 ± 0.002°
• γ: 106.053 ± 0.002°
• Cell volume: 998.49 ± 0.17 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0983
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1566
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes