Information card for entry 4111354

Structure parameters

• Formula: C11 H24 F6 O6 P2 S2
• Calculated formula: C11 H24 F6 O6 P2 S2
• 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: 15.765 ± 0.006 Å
• b: 11.994 ± 0.005 Å
• c: 24.584 ± 0.008 Å
• α: 90°
• β: 114.619 ± 0.005°
• γ: 90°
• Cell volume: 4226 ± 3 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No