Information card for entry 2215921

Structure parameters

• Common name: Bis[4-(4-fluorophenylsulfonyl)phenyl] ether
• Chemical name: 4,4'-Bis(4-fluorophenylsulfonyl)oxydibenzene
• Formula: C24 H16 F2 O5 S2
• Calculated formula: C24 H16 F2 O5 S2
• SMILES: S(=O)(=O)(c1ccc(F)cc1)c1ccc(Oc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)cc1
• Title of publication: 4,4'-Bis(4-fluorophenylsulfonyl)oxydibenzene
• Authors of publication: Lister, Adam R.; Moratti, Stephen C.; Simpson, Jim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4237 - o4237
• a: 14.0437 ± 0.0006 Å
• b: 16.059 ± 0.0006 Å
• c: 9.6644 ± 0.0003 Å
• α: 90°
• β: 102.223 ± 0.001°
• γ: 90°
• Cell volume: 2130.18 ± 0.14 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• 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: 0.0616
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes