Information card for entry 2235234

Structure parameters

• Chemical name: 2-(4-Bromophenyl)-2-oxoethyl anthracene-9-carboxylate
• Formula: C23 H15 Br O3
• Calculated formula: C23 H15 Br O3
• SMILES: Brc1ccc(C(=O)COC(=O)c2c3ccccc3cc3ccccc23)cc1
• Title of publication: 2-(4-Bromophenyl)-2-oxoethyl anthracene-9-carboxylate
• 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: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1876
• a: 10.1906 ± 0.0008 Å
• b: 15.0591 ± 0.0012 Å
• c: 13.7938 ± 0.0008 Å
• α: 90°
• β: 122.376 ± 0.004°
• γ: 90°
• Cell volume: 1787.8 ± 0.2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 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: 0.0725
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes