Information card for entry 2217773

Structure parameters

• Chemical name: 2-(4-Chlorobenzoyl)-3,6-dimethoxynaphthalene
• Formula: C19 H15 Cl O3
• Calculated formula: C19 H15 Cl O3
• SMILES: Clc1ccc(C(=O)c2c(OC)cc3c(c2)ccc(OC)c3)cc1
• Title of publication: 2-(4-Chlorobenzoyl)-3,6-dimethoxynaphthalene
• Authors of publication: Nakaema, Kosuke; Okamoto, Akiko; Imaizumi, Masahiro; Noguchi, Keiichi; Yonezawa, Noriyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: o612
• a: 8.1894 ± 0.0005 Å
• b: 20.5251 ± 0.0013 Å
• c: 9.9098 ± 0.0007 Å
• α: 90°
• β: 106.358 ± 0.004°
• γ: 90°
• Cell volume: 1598.29 ± 0.18 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0346
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes