Information card for entry 2225185

Structure parameters

• Chemical name: (3,6-Dimethoxy-2-naphthyl)(4-fluorobenzoyl)methanone
• Formula: C19 H15 F O3
• Calculated formula: C19 H15 F O3
• SMILES: Fc1ccc(C(=O)c2c(OC)cc3c(c2)ccc(OC)c3)cc1
• Title of publication: (3,6-Dimethoxy-2-naphthyl)(4-fluorobenzoyl)methanone
• Authors of publication: Watanabe, Shoji; Muto, Toyokazu; Nagasawa, Atsushi; Okamoto, Akiko; Yonezawa, Noriyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o712
• a: 8.369 ± 0.0002 Å
• b: 19.7603 ± 0.0005 Å
• c: 9.3897 ± 0.0002 Å
• α: 90°
• β: 105.126 ± 0.002°
• γ: 90°
• Cell volume: 1499.01 ± 0.06 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 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: 0.0338
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes