Information card for entry 2223831

Structure parameters

• Chemical name: (4-Hydroxy-2,5-dimethylphenyl)phenylmethanone
• Formula: C15 H14 O2
• Calculated formula: C15 H14 O2
• SMILES: O=C(c1ccccc1)c1cc(c(O)cc1C)C
• Title of publication: (4-Hydroxy-2,5-dimethylphenyl)phenylmethanone
• Authors of publication: Moreno-Fuquen, Rodolfo; Valencia, Leidy J.; Kennedy, Alan R.; Gilmour, Denise; De Almeida Santos, R. H.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2614
• a: 12.1392 ± 0.001 Å
• b: 8.1386 ± 0.0007 Å
• c: 23.665 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2338 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.0874
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0519
• Weighted residual factors for all reflections included in the refinement: 0.0576
• Goodness-of-fit parameter for all reflections included in the refinement: 0.726
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes