Information card for entry 2225254

Structure parameters

• Chemical name: <i>N</i>-(4-Chlorophenyl)-1,1,1-trifluoro-<i>N</i>- (trifluoromethylsulfonyl)methanesulfonamide
• Formula: C8 H4 Cl F6 N O4 S2
• Calculated formula: C8 H4 Cl F6 N O4 S2
• SMILES: Clc1ccc(N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)cc1
• Title of publication: <i>N</i>-(4-Chlorophenyl)-1,1,1-trifluoro-<i>N</i>-(trifluoromethylsulfonyl)methanesulfonamide
• Authors of publication: Boechat, Núbia; dos Santos Lages, Adriana; Kover, Warner B.; Tiekink, Edward R. T.; Wardell, James L.; Wardell, Solange M. S. V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o506 - o507
• a: 11.5998 ± 0.0003 Å
• b: 13.4423 ± 0.0004 Å
• c: 9.0548 ± 0.0002 Å
• α: 90°
• β: 108.014 ± 0.002°
• γ: 90°
• Cell volume: 1342.69 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• 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: 0.034
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes