Information card for entry 7213487

Structure parameters

• Formula: C8 H17 B0 F6 N2 P
• Calculated formula: C8 H17 F6 N2 P
• SMILES: [N+]1(=CN(CCC1)CC)CC.[P](F)(F)(F)(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: 8.141 ± 0.001 Å
• b: 11.23 ± 0.001 Å
• c: 14.131 ± 0.002 Å
• α: 90°
• β: 101.22 ± 0.01°
• γ: 90°
• Cell volume: 1267.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0654
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for all reflections: 0.1456
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections: 1.048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No