Information card for entry 7228892

Structure parameters

• Chemical name: 3,7,9-tris[(trifluoromethyl)sulfonyl]-3,7,9-triazabicyclo[3.3.1]nonane
• Formula: C9 H10 F9 N3 O6 S3
• Calculated formula: C9 H10 F9 N3 O6 S3
• SMILES: S(=O)(=O)(N1CC2CN(S(=O)(=O)C(F)(F)F)CC(C1)N2S(=O)(=O)C(F)(F)F)C(F)(F)F
• Title of publication: Oxidative addition/cycloaddition of arenesulfonamides and triflamide to N-allyltriflamide and N,N-diallyltriflamide
• Authors of publication: Shainyan, B. A.; Astakhova, V. V.; Ganin, A. S.; Moskalik, M. Yu; Sterkhova, I. V.
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 62
• Pages of publication: 38951
• a: 11.214 ± 0.004 Å
• b: 11.857 ± 0.005 Å
• c: 14.874 ± 0.007 Å
• α: 73.267 ± 0.014°
• β: 78.954 ± 0.014°
• γ: 80.979 ± 0.014°
• Cell volume: 1848 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1164
• Residual factor for significantly intense reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.2262
• Weighted residual factors for all reflections included in the refinement: 0.2648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No