Information card for entry 2209098

Structure parameters

• Chemical name: 2,3-Dibromo-3-(4-methoxyphenyl)-1-phenylpropan-1-one
• Formula: C16 H14 Br2 O2
• Calculated formula: C16 H14 Br2 O2
• SMILES: Br[C@H](C(=O)c1ccccc1)[C@@H](Br)c1ccc(OC)cc1.Br[C@@H](C(=O)c1ccccc1)[C@H](Br)c1ccc(OC)cc1
• Title of publication: 2,3-Dibromo-3-(4-methoxyphenyl)-1-phenylpropan-1-one
• Authors of publication: Ray J. Butcher; Yathirajan, H. S.; Anilkumar, H. G.; Sarojini, B. K.; Narayana, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2525 - o2527
• a: 5.9055 ± 0.0019 Å
• b: 9.133 ± 0.003 Å
• c: 14.584 ± 0.005 Å
• α: 101.028 ± 0.004°
• β: 90.411 ± 0.004°
• γ: 94.264 ± 0.005°
• Cell volume: 769.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes