Information card for entry 2226181

Structure parameters

• Chemical name: (4-Chlorophenyl)(3,8-dibromo-2-hydroxy-7-methoxy-1-naphthyl)methanone
• Formula: C18 H11 Br2 Cl O3
• Calculated formula: C18 H11 Br2 Cl O3
• SMILES: Brc1c(OC)ccc2cc(Br)c(O)c(c12)C(=O)c1ccc(Cl)cc1
• Title of publication: (4-Chlorophenyl)(3,8-dibromo-2-hydroxy-7-methoxy-1-naphthyl)methanone
• Authors of publication: Mitsui, Ryosuke; Watanabe, Shoji; Nagasawa, Atsushi; Okamoto, Akiko; Yonezawa, Noriyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1304
• a: 12.1513 ± 0.0002 Å
• b: 10.06343 ± 0.00018 Å
• c: 13.8936 ± 0.0003 Å
• α: 90°
• β: 103.675 ± 0.001°
• γ: 90°
• Cell volume: 1650.8 ± 0.05 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• 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: 0.0286
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes