Information card for entry 2225597

Structure parameters

• Chemical name: (8-Bromo-2,7-dimethoxy-1-naphthyl)(4-chlorophenyl)methanone
• Formula: C19 H14 Br Cl O3
• Calculated formula: C19 H14 Br Cl O3
• SMILES: Brc1c(OC)ccc2ccc(OC)c(c12)C(=O)c1ccc(Cl)cc1
• Title of publication: (8-Bromo-2,7-dimethoxy-1-naphthyl)(4-chlorophenyl)methanone
• Authors of publication: Mitsui, Ryosuke; Nagasawa, Atsushi; Watanabe, Shoji; Okamoto, Akiko; Yonezawa, Noriyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o873
• a: 15.0867 ± 0.0003 Å
• b: 8.72313 ± 0.00016 Å
• c: 13.5894 ± 0.0003 Å
• α: 90°
• β: 108.536 ± 0.001°
• γ: 90°
• Cell volume: 1695.63 ± 0.06 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 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: 0.0374
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes