Information card for entry 2225298

Structure parameters

• Chemical name: (8-Bromo-2-hydroxy-7-methoxy-1-naphthyl)(4-chlorobenzoyl)methanone
• Formula: C18 H12 Br Cl O3
• Calculated formula: C18 H12 Br Cl O3
• SMILES: Brc1c(OC)ccc2ccc(O)c(c12)C(=O)c1ccc(Cl)cc1
• Title of publication: (8-Bromo-2-hydroxy-7-methoxy-1-naphthyl)(4-chlorobenzoyl)methanone
• Authors of publication: Mitsui, Ryosuke; Nakaema, Kosuke; Nagasawa, Atsushi; Noguchi, Keiichi; Yonezawa, Noriyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o676
• a: 23.144 ± 0.0004 Å
• b: 7.61524 ± 0.00014 Å
• c: 20.2652 ± 0.0004 Å
• α: 90°
• β: 112.733 ± 0.001°
• γ: 90°
• Cell volume: 3294.22 ± 0.11 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.298
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes