Information card for entry 2230785

Structure parameters

• Chemical name: 2-(4-Bromophenyl)-2-oxoethyl 2-methoxybenzoate
• Formula: C16 H13 Br O4
• Calculated formula: C16 H13 Br O4
• SMILES: Brc1ccc(cc1)C(=O)COC(=O)c1ccccc1OC
• Title of publication: 2-(4-Bromophenyl)-2-oxoethyl 2-methoxybenzoate
• Authors of publication: Fun, Hoong-Kun; Quah, Ching Kheng; 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: o1724
• a: 7.8424 ± 0.0005 Å
• b: 14.6799 ± 0.0009 Å
• c: 25.7677 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2966.5 ± 0.3 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: 0.0747
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes