Information card for entry 2215130

Structure parameters

• Chemical name: 2,3-Dibromo-3-(4-bromo-6-methoxy-2-naphthyl)-1-(4-methoxyphenyl)propan-1-one
• Formula: C21 H17 Br3 O3
• Calculated formula: C21 H17 Br3 O3
• SMILES: Br[C@@H]([C@@H](Br)C(=O)c1ccc(OC)cc1)c1ccc2c(Br)c(OC)ccc2c1.Br[C@H]([C@H](Br)C(=O)c1ccc(OC)cc1)c1ccc2c(Br)c(OC)ccc2c1
• Title of publication: 2,3-Dibromo-3-(4-bromo-6-methoxy-2-naphthyl)-1-(4-methoxyphenyl)propan-1-one
• Authors of publication: Sarojini, B. K.; Narayana, B.; Yathirajan, H. S.; Mayekar, Anil N.; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3755 - o3755
• a: 7.4989 ± 0.0005 Å
• b: 20.364 ± 0.0016 Å
• c: 13.6083 ± 0.0008 Å
• α: 90°
• β: 104.844 ± 0.005°
• γ: 90°
• Cell volume: 2008.7 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0791
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1669
• Weighted residual factors for all reflections included in the refinement: 0.1739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes