Information card for entry 2237712

Structure parameters

• Chemical name: 1,8-Bis(4-fluorobenzoyl)naphthalen-2,7-diyl dimethanesulfonate
• Formula: C26 H18 F2 O8 S2
• Calculated formula: C26 H18 F2 O8 S2
• SMILES: O=C(c1c(ccc2c1c(c(cc2)OS(=O)(=O)C)C(=O)c1ccc(cc1)F)OS(=O)(=O)C)c1ccc(cc1)F
• Title of publication: 1,8-Bis(4-fluorobenzoyl)naphthalen-2,7-diyl dimethanesulfonate
• Authors of publication: Hijikata, Daichi; Sakamoto, Rei; Isozaki, Katsuhiro; Yonezawa, Noriyuki; Okamoto, Akiko
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: o544
• a: 7.376 ± 0.003 Å
• b: 16.468 ± 0.007 Å
• c: 20.075 ± 0.009 Å
• α: 90°
• β: 96.123 ± 0.006°
• γ: 90°
• Cell volume: 2424.6 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes