Information card for entry 4109498

Structure parameters

• Formula: C27 H50 F3 O3 P5 S
• Calculated formula: C27 H50 F3 O3 P5 S
• SMILES: [P+]1(P(P(P(P1C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)(C)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Cyclotetraphosphinophosphonium Ions: Synthesis, Structures, and Pseudorotation
• Authors of publication: C. Adam Dyker; Susanne D. Riegel; Neil Burford; Michael D. Lumsden; Andreas Decken
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 7464 - 7474
• a: 20.0981 ± 0.0015 Å
• b: 34.842 ± 0.003 Å
• c: 9.6712 ± 0.0007 Å
• α: 90°
• β: 94.697 ± 0.001°
• γ: 90°
• Cell volume: 6749.6 ± 0.9 ų
• Cell temperature: 213 ± 1 K
• Ambient diffraction temperature: 213 ± 1 K
• Number of distinct elements: 6
• 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: 0.0848
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No