Information card for entry 4111355

Structure parameters

• Formula: C14 H30 F6 O6 P2 S2
• Calculated formula: C14 H30 F6 O6 P2 S2
• SMILES: [P+]([P+](C)(C)C)(C(C)C)(C(C)C)C(C)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Prototypical Phosphorus Analogues of Ethane: General and Versatile Synthetic Approaches to Hexaalkylated P-P Diphosphonium Cations
• Authors of publication: Jan J. Weigand; Susanne D. Riegel; Neil Burford; Andreas Decken
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 7969 - 7976
• a: 8.75 ± 0.003 Å
• b: 11.566 ± 0.004 Å
• c: 12.245 ± 0.005 Å
• α: 88.744 ± 0.006°
• β: 74.948 ± 0.004°
• γ: 76.431 ± 0.004°
• Cell volume: 1162.3 ± 0.7 ų
• Cell temperature: 198 ± 1 K
• Ambient diffraction temperature: 198 ± 1 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: 0.0587
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No