Information card for entry 4114378

Structure parameters

• Formula: C27 H32 F3 O3 P3 S
• Calculated formula: C27 H32 F3 O3 P3 S
• SMILES: P1([P+](P(C(C)(C)C)c2c1cccc2)(c1ccccc1)c1ccccc1)C(C)(C)C.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: 10.0399 ± 0.0015 Å
• b: 10.6383 ± 0.0016 Å
• c: 14.648 ± 0.002 Å
• α: 102.753 ± 0.003°
• β: 107.407 ± 0.003°
• γ: 100.374 ± 0.003°
• Cell volume: 1404.2 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0835
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No