Information card for entry 2232727

Structure parameters

• Chemical name: 2-(4-Fluorophenyl)-2-oxoethyl 4-methoxybenzoate
• Formula: C16 H13 F O4
• Calculated formula: C16 H13 F O4
• SMILES: Fc1ccc(cc1)C(=O)COC(=O)c1ccc(OC)cc1
• Title of publication: 2-(4-Fluorophenyl)-2-oxoethyl 4-methoxybenzoate
• Authors of publication: Fun, Hoong-Kun; Loh, Wan-Sin; Garudachari, B.; Isloor, Arun M.; Satyanarayan, M. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3456
• a: 9.3523 ± 0.0002 Å
• b: 10.1949 ± 0.0002 Å
• c: 15.6465 ± 0.0004 Å
• α: 90°
• β: 118.842 ± 0.002°
• γ: 90°
• Cell volume: 1306.77 ± 0.06 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0864
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes