Information card for entry 2013726

Structure parameters

• Chemical name: Bis(trifluoromethylsulfamido) sulfone
• Formula: C2 H2 F6 N2 O6 S3
• Calculated formula: C2 H2 F6 N2 O6 S3
• SMILES: FC(S(=O)(=O)NS(=O)(=O)NS(=O)(=O)C(F)(F)F)(F)F
• Title of publication: The polysulfonylamines bis(methylsulfonamido) sulfone and bis(trifluoromethylsulfonamido) sulfone
• Authors of publication: Taraba, Jan; Žák, Zdirad
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: o79 - o81
• a: 9.007 ± 0.002 Å
• b: 5.537 ± 0.001 Å
• c: 20.776 ± 0.004 Å
• α: 90°
• β: 94.97 ± 0.03°
• γ: 90°
• Cell volume: 1032.2 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.052
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes