Information card for entry 2218356

Structure parameters

• Common name: 2,3-Dibromo-1-(2,4-dichloro-5-fluorophenyl)-3-phenylpropan-1-one
• Chemical name: 2,3-Dibromo-1-(2,4-dichloro-5-fluorophenyl)-3-phenylpropan-1-one
• Formula: C15 H9 Br2 Cl2 F O
• Calculated formula: C15 H9 Br2 Cl2 F O
• SMILES: Br[C@H](C(=O)c1cc(F)c(cc1Cl)Cl)[C@H](c1ccccc1)Br.Br[C@@H](C(=O)c1cc(F)c(cc1Cl)Cl)[C@@H](c1ccccc1)Br
• Title of publication: 2,3-Dibromo-1-(2,4-dichloro-5-fluorophenyl)-3-phenylpropan-1-one
• Authors of publication: Fun, Hoong-Kun; Jebas, Samuel Robinson; Razak, Ibrahim Abdul; Karthikeyan, M. S.; Patil, P. S.; Dharmaprakash, S. M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1039
• a: 7.1232 ± 0.0001 Å
• b: 10.0757 ± 0.0002 Å
• c: 43.0262 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3088.04 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0848
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes