Information card for entry 2227101

Structure parameters

• Chemical name: 2,3-Dibromo-1,3-bis(4-fluorophenyl)propan-1-one
• Formula: C15 H10 Br2 F2 O
• Calculated formula: C15 H10 Br2 F2 O
• SMILES: Br[C@H]([C@H](Br)c1ccc(F)cc1)C(=O)c1ccc(F)cc1.Br[C@@H]([C@@H](Br)c1ccc(F)cc1)C(=O)c1ccc(F)cc1
• Title of publication: 2,3-Dibromo-1,3-bis(4-fluorophenyl)propan-1-one
• Authors of publication: Jasinski, Jerry P.; Guild, Curtis J.; Samshuddin, S.; Narayana, B.; Yathirajan, H. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2018
• a: 5.7381 ± 0.0013 Å
• b: 9.909 ± 0.002 Å
• c: 12.575 ± 0.003 Å
• α: 75.324 ± 0.003°
• β: 87.472 ± 0.003°
• γ: 82.3 ± 0.003°
• Cell volume: 685.4 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.208
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes