Information card for entry 7213491

Structure parameters

• Formula: C16 H30 F6 N2 O7 S2
• Calculated formula: C16 H30 F6 N2 O7 S2
• SMILES: S(=O)(=O)(C(F)(F)F)[O-].[N+](=COC=[N+](C(C)C)C(C)C)(C(C)C)C(C)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Preparation of tetraalkylformamidinium salts and related species as precursors to stable carbenes
• Authors of publication: Alder, Roger W.; Blake, Michael E.; Bufali, Simone; Butts, Craig P.; Orpen, A. Guy; Schütz, Jan; Williams, Stuart J.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2001
• Journal issue: 14
• Pages of publication: 1586
• a: 11.3218 ± 0.0013 Å
• b: 17.9 ± 0.002 Å
• c: 24.468 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4958.7 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0914
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for all reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections: 1.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No