Information card for entry 2215868

Structure parameters

• Chemical name: 2,3-Dibromo-3-(5-bromo-2-methoxyphenyl)-1-(2,4-dichlorophenyl)propan-1-one
• Formula: C16 H11 Br3 Cl2 O2
• Calculated formula: C16 H11 Br3 Cl2 O2
• SMILES: C(=O)(c1c(Cl)cc(Cl)cc1)[C@H](Br)[C@H](Br)c1cc(Br)ccc1OC.C(=O)(c1c(Cl)cc(Cl)cc1)[C@@H](Br)[C@@H](Br)c1cc(Br)ccc1OC
• Title of publication: 2,3-Dibromo-3-(5-bromo-2-methoxyphenyl)-1-(2,4-dichlorophenyl)propan-1-one
• Authors of publication: Narayana, B.; Mayekar, Anil N.; Yathirajan, H. S.; Sarojini, B. K.; Kubicki, Maciej
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4362 - o4362
• a: 15.9189 ± 0.0008 Å
• b: 7.3729 ± 0.0003 Å
• c: 15.4895 ± 0.0007 Å
• α: 90°
• β: 98.125 ± 0.004°
• γ: 90°
• Cell volume: 1799.73 ± 0.14 ų
• Cell temperature: 295 ± 1 K
• Ambient diffraction temperature: 295 ± 1 K
• Number of distinct elements: 5
• 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: 0.0549
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes