Information card for entry 2220351

Structure parameters

• Common name: 1-(4-chlorobenzoyl)-2-hydroxy-7-methoxynaphthalene
• Chemical name: (4-Chlorophenyl)(2-hydroxy-7-methoxynaphthalen-1-yl)methanone
• Formula: C18 H13 Cl O3
• Calculated formula: C18 H13 Cl O3
• SMILES: Clc1ccc(C(=O)c2c(O)ccc3ccc(OC)cc23)cc1
• Title of publication: (4-Chlorophenyl)(2-hydroxy-7-methoxynaphthalen-1-yl)methanone
• Authors of publication: Mitsui, Ryosuke; Nakaema, Kosuke; Noguchi, Keiichi; Yonezawa, Noriyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2497
• a: 17.803 ± 0.0003 Å
• b: 8.68121 ± 0.0001 Å
• c: 18.8683 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2916.13 ± 0.08 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.037
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes