Information card for entry 2220183

Structure parameters

• Chemical name: 1-(3,4-Dihydroxyphenyl)-2-(4-fluorophenyl)ethanone
• Formula: C14 H11 F O3
• Calculated formula: C14 H11 F O3
• SMILES: c1(cc(c(cc1)O)O)C(=O)Cc1ccc(cc1)F
• Title of publication: 1-(3,4-Dihydroxyphenyl)-2-(4-fluorophenyl)ethanone
• Authors of publication: Song, Xiao-Qing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2282
• a: 8.164 ± 0.0016 Å
• b: 5.912 ± 0.0012 Å
• c: 24.946 ± 0.006 Å
• α: 90°
• β: 105.33 ± 0.03°
• γ: 90°
• Cell volume: 1161.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0784
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes