Information card for entry 2228052

Structure parameters

• Chemical name: (4-Bromophenyl)(3,6-dimethoxy-2-naphthyl)methanone
• Formula: C19 H15 Br O3
• Calculated formula: C19 H15 Br O3
• SMILES: Brc1ccc(C(=O)c2cc3ccc(OC)cc3cc2OC)cc1
• Title of publication: (4-Bromophenyl)(3,6-dimethoxy-2-naphthyl)methanone
• Authors of publication: Kato, Yuichi; Nagasawa, Atsushi; Kataoka, Kotaro; Okamoto, Akiko; Yonezawa, Noriyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2795
• a: 7.88917 ± 0.00014 Å
• b: 21.0182 ± 0.0004 Å
• c: 10.06272 ± 0.00018 Å
• α: 90°
• β: 105.971 ± 0.001°
• γ: 90°
• Cell volume: 1604.16 ± 0.05 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0334
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes