Information card for entry 2230846

Structure parameters

• Chemical name: 2-(4-Bromophenyl)-2-oxoethyl 4-bromobenzoate
• Formula: C15 H10 Br2 O3
• Calculated formula: C15 H10 Br2 O3
• SMILES: Brc1ccc(cc1)C(=O)OCC(=O)c1ccc(cc1)Br
• Title of publication: 2-(4-Bromophenyl)-2-oxoethyl 4-bromobenzoate
• Authors of publication: Fun, Hoong-Kun; Arshad, Suhana; 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: o1582 - o1583
• a: 11.0483 ± 0.0003 Å
• b: 5.9079 ± 0.0001 Å
• c: 33.855 ± 0.0008 Å
• α: 90°
• β: 108.802 ± 0.001°
• γ: 90°
• Cell volume: 2091.87 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes