Information card for entry 2227282

Structure parameters

• Common name: 1-[4-(3,5-Difluorobenzyloxy)-2-hydroxyphenyl]ethanone
• Formula: C15 H12 F2 O3
• Calculated formula: C15 H12 F2 O3
• SMILES: Fc1cc(COc2ccc(c(c2)O)C(=O)C)cc(c1)F
• Title of publication: 1-[4-(3,5-Difluorobenzyloxy)-2-hydroxyphenyl]ethanone
• Authors of publication: Ma, Ya-Tuan; Zhang, An-Ling; Yuan, Mao-Sen; Gao, Jin-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2468
• a: 7.422 ± 0.0008 Å
• b: 13.0329 ± 0.0014 Å
• c: 14.1171 ± 0.0016 Å
• α: 83.921 ± 0.002°
• β: 77.913 ± 0.001°
• γ: 76.501 ± 0.001°
• Cell volume: 1296.1 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1321
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.2005
• Weighted residual factors for all reflections included in the refinement: 0.2308
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes