Information card for entry 4116020

Structure parameters

• Formula: C30 H49 F3 N3 O3 P S
• Calculated formula: C30 H49 F3 N3 O3 P S
• SMILES: P(=Nc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)c1n(c(c([n+]1C(C)C)C)C)C(C)C.O=S(=O)([O-])C(F)(F)F
• Title of publication: Iminophosphide Bonding Environments from Carbene Complexes of Iminophosphines
• Authors of publication: Neil Burford; T. Stanley Cameron; Daren J. LeBlanc; Andrew D. Phillips; Thomas E. Concolino; Kin-Chung Lam; Arnold L. Rheingold
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 5413 - 5414
• a: 10.6688 ± 0.0002 Å
• b: 15.2337 ± 0.0003 Å
• c: 42.5078 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6908.6 ± 0.2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.136
• Residual factor for significantly intense reflections: 0.0892
• Weighted residual factors for significantly intense reflections: 0.1502
• Weighted residual factors for all reflections included in the refinement: 0.1699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.215
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No