Information card for entry 2311191

Structure parameters

• Chemical name: (4-Hydroxy-3-methylphenyl)(phenyl)methanone
• Formula: C14 H12 O2
• Calculated formula: C14 H12 O2
• SMILES: O=C(c1ccccc1)c1cc(C)c(O)cc1
• Title of publication: (4-Hy-droxy-3-methyl-phen-yl)(phen-yl)methanone.
• Authors of publication: Dileep, C. S.; Lakshmi Ranganatha, V.; Lokanath, N. K.; Shaukath, A. K.; Sridhar, M. A.
• Journal of publication: Acta crystallographica. Section E, Structure reports online
• Year of publication: 2013
• Journal volume: 69
• Journal issue: Pt 10
• Pages of publication: o1550
• a: 7.7043 ± 0.0004 Å
• b: 16.377 ± 0.0008 Å
• c: 17.7482 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2239.3 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No