Information card for entry 2227690

Structure parameters

• Chemical name: (4-Bromophenyl)(2,7-dimethoxy-1-naphthyl)methanone
• Formula: C19 H15 Br O3
• Calculated formula: C19 H15 Br O3
• SMILES: Brc1ccc(C(=O)c2c(OC)ccc3ccc(OC)cc23)cc1
• Title of publication: (4-Bromophenyl)(2,7-dimethoxy-1-naphthyl)methanone
• Authors of publication: Kato, Yuichi; Nagasawa, Atsushi; Tsumuki, Takehiro; Okamoto, Akiko; Yonezawa, Noriyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2939
• a: 6.58278 ± 0.00012 Å
• b: 16.1134 ± 0.0003 Å
• c: 30.275 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3211.3 ± 0.11 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• 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: 0.0348
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes