Information card for entry 7108275

Structure parameters

• Formula: C6 H15 F4 N S
• Calculated formula: C6 H15 F4 N S
• SMILES: S(F)(F)(F)(F)=N(CC)(CC)CC
• Title of publication: SF4*N(C2H5)3: the first conclusively characterized SF4 adduct with an organic base
• Authors of publication: James T. Goettel; Praveen Chaudhary; Paul Hazendonk; Helene P. A. Mercier; Michael Gerken
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 9120
• a: 6.878 ± 0.005 Å
• b: 7.761 ± 0.005 Å
• c: 9.79 ± 0.006 Å
• α: 73.126 ± 0.007°
• β: 80.176 ± 0.007°
• γ: 72.901 ± 0.005°
• Cell volume: 475.9 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No