Information card for entry 2230737

Structure parameters

• Chemical name: 2-(4-Chlorophenyl)-2-oxoethyl 2-methoxybenzoate
• Formula: C16 H13 Cl O4
• Calculated formula: C16 H13 Cl O4
• SMILES: Clc1ccc(cc1)C(=O)COC(=O)c1ccccc1OC
• Title of publication: 2-(4-Chlorophenyl)-2-oxoethyl 2-methoxybenzoate
• Authors of publication: Fun, Hoong-Kun; Asik, Safra Izuani Jama; Garudachari, B.; Isloor, Arun M.; Satyanarayan, M. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1687
• a: 7.7207 ± 0.0006 Å
• b: 14.4411 ± 0.0012 Å
• c: 26.064 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2906 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0659
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes