Information card for entry 2228420

Structure parameters

• Chemical name: 2,3-Dibromo-1,3-bis(4-chlorophenyl)propan-1-one
• Formula: C15 H10 Br2 Cl2 O
• Calculated formula: C15 H10 Br2 Cl2 O
• SMILES: Br[C@@H](C(=O)c1ccc(Cl)cc1)[C@H](Br)c1ccc(Cl)cc1.Br[C@H](C(=O)c1ccc(Cl)cc1)[C@@H](Br)c1ccc(Cl)cc1
• Title of publication: 2,3-Dibromo-1,3-bis(4-chlorophenyl)propan-1-one
• Authors of publication: Fun, Hoong-Kun; Quah, Ching Kheng; Shetty, Shobhitha; Kalluraya, Balakrishna
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3131
• a: 5.7599 ± 0.0003 Å
• b: 17.1233 ± 0.0008 Å
• c: 30.1983 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2978.4 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0638
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes