Information card for entry 7213492

Structure parameters

• Formula: C12 H22 F6 N3 P
• Calculated formula: C12 H22 F6 N3 P
• SMILES: [P](F)(F)(F)(F)(F)[F-].[N+]1(=CN=CN2CCCCC2)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: 12.0943 ± 0.0002 Å
• b: 16.0992 ± 0.0001 Å
• c: 16.4556 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3204.05 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for all reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections: 1.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No