Information card for entry 7213488

Structure parameters

• Formula: C14 H29 F3 N2 O3 S
• Calculated formula: C14 H29 F3 N2 O3 S
• SMILES: S(=O)(=O)([O-])C(F)(F)F.[N+](=CN(C(C)C)C(C)C)(C(C)C)C(C)C
• 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: 8.996 ± 0.002 Å
• b: 9.238 ± 0.002 Å
• c: 11.992 ± 0.002 Å
• α: 90.02 ± 0.02°
• β: 91.36 ± 0.02°
• γ: 112.5 ± 0.02°
• Cell volume: 920.4 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.08
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections: 0.1662
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections: 1.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.312
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No