Information card for entry 2220984

Structure parameters

• Chemical name: (4-Chlorobenzoyl)(2-ethoxy-7-methoxynaphthalen-1-yl)methanone
• Formula: C20 H17 Cl O3
• Calculated formula: C20 H17 Cl O3
• SMILES: Clc1ccc(C(=O)c2c(OCC)ccc3ccc(OC)cc23)cc1
• Title of publication: (4-Chlorobenzoyl)(2-ethoxy-7-methoxynaphthalen-1-yl)methanone
• Authors of publication: Mitsui, Ryosuke; Noguchi, Keiichi; Yonezawa, Noriyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o543
• a: 7.26434 ± 0.00013 Å
• b: 20.8849 ± 0.0004 Å
• c: 12.2094 ± 0.0002 Å
• α: 90°
• β: 113.201 ± 0.001°
• γ: 90°
• Cell volume: 1702.55 ± 0.05 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 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: 0.0484
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes