Information card for entry 7103130

Structure parameters

• Common name: 1,1,3,3-tetrakis(trifluoromethanesulfonyl)propane
• Chemical name: 1,1,3,3-tetrakis(trifluoromethanesulfonyl)propane
• Formula: C7 H4 F12 O8 S4
• Calculated formula: C7 H4 F12 O8 S4
• SMILES: C(F)(F)(F)S(=O)(=O)C(CC(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
• Title of publication: Tetrakis(trifluoromethanesulfonyl)propane: highly effective Brønsted acid catalyst for vinylogous Mukaiyama-Michael reaction of alpha,beta-enones with silyloxyfurans.
• Authors of publication: Takahashi, Arata; Yanai, Hikaru; Taguchi, Takeo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 20
• Pages of publication: 2385 - 2387
• a: 9.9367 ± 0.0009 Å
• b: 16.582 ± 0.0015 Å
• c: 10.9892 ± 0.001 Å
• α: 90°
• β: 103.585 ± 0.001°
• γ: 90°
• Cell volume: 1760 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0384
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No