Information card for entry 2201152

Structure parameters

• Chemical name: N,N-Bis-(trifluoromethylsulfonyl)-aniline
• Formula: C8 H5 F6 N O4 S2
• Calculated formula: C8 H5 F6 N O4 S2
• SMILES: FC(S(=O)(=O)N(S(=O)(=O)C(F)(F)F)c1ccccc1)(F)F
• Title of publication: <i>N,N</i>-Bis(trifluoromethylsulfonyl)aniline
• Authors of publication: Bats, Jan W.; Weyrauch, Jan P.; Hashmi, A. Stephen K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 6
• Pages of publication: o590 - o591
• a: 24.871 ± 0.004 Å
• b: 5.6208 ± 0.0006 Å
• c: 18.2216 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2547.3 ± 0.6 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes