Information card for entry 4313949

Structure parameters

• Formula: C30 H49 F3 N3 O3 P S2
• Calculated formula: C30 H49 F3 N3 O3 P S2
• SMILES: P(=Nc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)Sc1n(c(c([n+]1C(C)C)C)C)C(C)C.C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Chalcogeno-urea Ligands on a Phosphadiazonium Lewis Acceptor: A New Synthetic Approach to Ch-P Bonds (Ch = O, S, Se)
• Authors of publication: Neil Burford; Andrew D. Phillips; Heather A. Spinney; Katherine N. Robertson; T. Stanley Cameron; Robert McDonald
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 4949 - 4954
• a: 19.8669 ± 0.0014 Å
• b: 10.493 ± 0.0007 Å
• c: 18.2872 ± 0.0014 Å
• α: 90°
• β: 114.911 ± 0.002°
• γ: 90°
• Cell volume: 3457.5 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• 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: 0.0929
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for all reflections: 0.1386
• Weighted residual factors for significantly intense reflections: 0.1229
• Goodness-of-fit parameter for all reflections: 0.929
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No