Information card for entry 2311214

Structure parameters

• Chemical name: (4-Fluorophenyl)(2-hydroxy-5-methylphenyl)methanone
• Formula: C14 H11 F O2
• Calculated formula: C14 H11 F O2
• SMILES: Fc1ccc(C(=O)c2c(O)ccc(c2)C)cc1
• Title of publication: (4-Fluoro-phen-yl)(2-hy-droxy-5-methyl-phen-yl)methanone.
• Authors of publication: Dileep, C. S.; Lakshmi Ranganatha, V.; Lokanath, N. K.; Khanum, S. A.; Sridhar, M. A.
• Journal of publication: Acta crystallographica. Section E, Structure reports online
• Year of publication: 2014
• Journal volume: 70
• Journal issue: Pt 3
• Pages of publication: o286
• a: 5.9396 ± 0.0006 Å
• b: 12.3808 ± 0.0015 Å
• c: 30.522 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2244.5 ± 0.4 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• 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: 0.0541
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No