Information card for entry 7213489

Structure parameters

• Formula: C12 H25 F6 N2 P
• Calculated formula: C12 H25 F6 N2 P
• SMILES: [P](F)(F)(F)(F)(F)[F-].[N+]1(=CN(C(C)C)C(C)C)CCCCC1
• 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: 9.61 ± 0.002 Å
• b: 12.226 ± 0.003 Å
• c: 14.09 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1655.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0793
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections: 0.1777
• Weighted residual factors for all reflections included in the refinement: 0.1725
• Goodness-of-fit parameter for all reflections: 1.026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.354
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No