Information card for entry 2213348

Structure parameters

• Chemical name: 2,3-Dibromo-3-(5-bromo-6-methoxy-2-naphthyl)-1-(2,4-dichlorophenyl)propan-1-one
• Formula: C20 H13 Br3 Cl2 O2
• Calculated formula: C20 H13 Br3 Cl2 O2
• SMILES: O=C([C@H](Br)[C@H](Br)c1ccc2c(c1)ccc(c2Br)OC)c1c(Cl)cc(Cl)cc1.O=C([C@@H](Br)[C@@H](Br)c1ccc2c(c1)ccc(c2Br)OC)c1c(Cl)cc(Cl)cc1
• Title of publication: 2,3-Dibromo-3-(5-bromo-6-methoxy-2-naphthyl)-1-(2,4-dichlorophenyl)propan-1-one
• Authors of publication: Yathirajan, H. S.; Mayekar, Anil M.; Narayana, B.; Sarojini, B. K.; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2345 - o2345
• a: 9.3506 ± 0.0004 Å
• b: 9.8861 ± 0.0005 Å
• c: 21.7179 ± 0.0009 Å
• α: 90°
• β: 98.298 ± 0.003°
• γ: 90°
• Cell volume: 1986.61 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes