Information card for entry 2240033

Structure parameters

• Chemical name: 1-(2-Fluorobenzoyl)-2,7-dimethoxynaphthalene
• Formula: C19 H15 F O3
• Calculated formula: C19 H15 F O3
• SMILES: Fc1c(C(=O)c2c(OC)ccc3ccc(OC)cc23)cccc1
• Title of publication: Crystal structure of 1-(2-fluorobenzoyl)-2,7-dimethoxynaphthalene
• Authors of publication: Mohri, Saki; Ohisa, Shinji; Tsumuki, Takehiro; Yonezawa, Noriyuki; Okamoto, Akiko
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 11
• Pages of publication: 278 - 280
• a: 8.36074 ± 0.00015 Å
• b: 15.5479 ± 0.0003 Å
• c: 23.6898 ± 0.0004 Å
• α: 90°
• β: 94.163 ± 0.001°
• γ: 90°
• Cell volume: 3071.36 ± 0.1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes