Information card for entry 4113062

Structure parameters

• Formula: C15 H29 F6 N4 P
• Calculated formula: C15 H29 F6 N4 P
• SMILES: [N+]1(N2[C@@H](CC[C@H]2C)C)=CN(N2[C@@H](CC[C@H]2C)C)CC1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: 1,3-Bis(N,N-dialkylamino)imidazolin-2-ylidenes: Synthesis and Reactivity of a New Family of Stable N-Heterocyclic Carbenes
• Authors of publication: Manuel Alcarazo; Stephen J. Roseblade; Emma Alonso; Rosario Fernández; Eleuterio Alvarez; Fernando J. Lahoz; José M. Lassaletta
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 13242 - 13243
• a: 8.0332 ± 0.0002 Å
• b: 13.2741 ± 0.0003 Å
• c: 9.5148 ± 0.0002 Å
• α: 90°
• β: 107.835 ± 0.001°
• γ: 90°
• Cell volume: 965.84 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No