Information card for entry 2218742

Structure parameters

• Chemical name: 1-(4-Chlorobenzoyl)-2,7-dimethoxynaphthalene
• Formula: C19 H15 Cl O3
• Calculated formula: C19 H15 Cl O3
• SMILES: Clc1ccc(C(=O)c2c(OC)ccc3ccc(OC)cc23)cc1
• Title of publication: 1-(4-Chlorobenzoyl)-2,7-dimethoxynaphthalene
• Authors of publication: Mitsui, Ryosuke; Nakaema, Kosuke; Noguchi, Keiichi; Okamoto, Akiko; Yonezawa, Noriyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1278
• a: 6.6033 ± 0.0003 Å
• b: 16.0751 ± 0.0007 Å
• c: 30.2216 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3208 ± 0.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0456
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes