Information card for entry 2219307

Structure parameters

• Chemical name: 1,5-Bis(4-bromophenyl)-3-phenylpentane-1,5-dione
• Formula: C23 H18 Br2 O2
• Calculated formula: C23 H18 Br2 O2
• SMILES: Brc1ccc(C(=O)CC(c2ccccc2)CC(=O)c2ccc(Br)cc2)cc1
• Title of publication: 1,5-Bis(4-bromophenyl)-3-phenylpentane-1,5-dione
• Authors of publication: Li, Kao-Zhen; Chen, Yu-Ting; Zhao, Chuan-Wen; Wei, Guo-Dong; He, Qing-Peng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1665
• a: 26.46 ± 0.003 Å
• b: 6.208 ± 0.0017 Å
• c: 26.32 ± 0.003 Å
• α: 90°
• β: 112.02 ± 0.002°
• γ: 90°
• Cell volume: 4008 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.1772
• Residual factor for significantly intense reflections: 0.0986
• Weighted residual factors for significantly intense reflections: 0.2574
• Weighted residual factors for all reflections included in the refinement: 0.301
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes