Information card for entry 2238494

Structure parameters

• Common name: [2,5-Dibromo-4-(4-methylbenzoyl)phenyl](4-methylphenyl)methanone
• Chemical name: 1,4-Dibromo-2,5-di-<i>p</i>-toluoylbenzene
• Formula: C22 H16 Br2 O2
• Calculated formula: C22 H16 Br2 O2
• SMILES: O=C(c1cc(Br)c(cc1Br)C(=O)c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: 1,4-Dibromo-2,5-di-<i>p</i>-toluoylbenzene
• Authors of publication: He, Guang-Ke; Song, Guang-Liang; Chen, Chen; Zhu, Hong-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: o1444
• a: 9.855 ± 0.002 Å
• b: 12.064 ± 0.002 Å
• c: 16.345 ± 0.003 Å
• α: 90°
• β: 97.61 ± 0.03°
• γ: 90°
• Cell volume: 1926.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1644
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes