Information card for entry 4114379

Structure parameters

• Formula: C16 H19 F3 O3 P2 S
• Calculated formula: C16 H19 F3 O3 P2 S
• SMILES: P([P+](C)(C)C)(c1ccccc1)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Phosphine Coordination Complexes of the Diphenylphosphenium Cation: A Versatile Synthetic Methodology for P-P Bond Formation
• Authors of publication: Neil Burford; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 14404 - 14410
• a: 11.569 ± 0.003 Å
• b: 8.265 ± 0.002 Å
• c: 19.965 ± 0.005 Å
• α: 90°
• β: 97.214 ± 0.005°
• γ: 90°
• Cell volume: 1893.9 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1424
• Residual factor for significantly intense reflections: 0.0956
• Weighted residual factors for significantly intense reflections: 0.2113
• Weighted residual factors for all reflections included in the refinement: 0.2418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No