Information card for entry 2210391

Structure parameters

• Chemical name: 1-(4-tert-Butylphenyl)-3-hydroxy-3-(2-naphthyl)prop-2-en-1-one
• Formula: C23 H22 O2
• Calculated formula: C23 H22 O2
• SMILES: CC(C)(C)c1ccc(cc1)C(=O)\C=C(/c1cc2ccccc2cc1)O
• Title of publication: 1-(4-<i>tert</i>-Butylphenyl)-3-hydroxy-3-(2-naphthyl)prop-2-en-1-one
• Authors of publication: Dun-Jia Wang; Chun-Yang Zheng; Ling Fan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3681 - o3682
• a: 32.49 ± 0.004 Å
• b: 6.2231 ± 0.0008 Å
• c: 22.533 ± 0.003 Å
• α: 90°
• β: 128.605 ± 0.002°
• γ: 90°
• Cell volume: 3560.3 ± 0.8 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes