Information card for entry 2240718

Structure parameters

• Chemical name: (4-Hydroxy-3,5-dimethylphenyl)(phenyl)methanone
• Formula: C15 H14 O2
• Calculated formula: C15 H14 O2
• SMILES: Oc1c(cc(cc1C)C(=O)c1ccccc1)C
• Title of publication: (4-Hydroxy-3,5-dimethylphenyl)(phenyl)methanone
• Authors of publication: Dileep, C. S.; Prashanth, T.; Jeyaseelan, S.; Khanum, S. A.; Sridhar, M. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: o1676
• a: 4.7741 ± 0.0013 Å
• b: 15.198 ± 0.004 Å
• c: 17.274 ± 0.005 Å
• α: 90°
• β: 95.275 ± 0.012°
• γ: 90°
• Cell volume: 1248 ± 0.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• 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: 0.0537
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1403
• 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