Information card for entry 2224942

Structure parameters

• Chemical name: (2,7-Dimethoxynaphthalene-1,8-diyl)bis(4-fluorobenzoyl)dimethanone
• Formula: C26 H18 F2 O4
• Calculated formula: C26 H18 F2 O4
• SMILES: Fc1ccc(C(=O)c2c(OC)ccc3ccc(OC)c(c23)C(=O)c2ccc(F)cc2)cc1
• Title of publication: (2,7-Dimethoxynaphthalene-1,8-diyl)bis(4-fluorobenzoyl)dimethanone
• Authors of publication: Watanabe, Shoji; Nagasawa, Atsushi; Okamoto, Akiko; Noguchi, Keiichi; Yonezawa, Noriyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o329
• a: 9.87444 ± 0.00018 Å
• b: 17.0275 ± 0.0003 Å
• c: 14.9671 ± 0.0003 Å
• α: 90°
• β: 126.871 ± 0.001°
• γ: 90°
• Cell volume: 2013.19 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.036
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.0947
• 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