Information card for entry 4109500

Structure parameters

• Formula: C27 H26 F3 O3 P5 S
• Calculated formula: C27 H26 F3 O3 P5 S
• SMILES: [P+]1(P(P(P(P1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(C)C.C(F)(F)(F)S(=O)(=O)[O-]
• 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: 9.9468 ± 0.0012 Å
• b: 12.7582 ± 0.0015 Å
• c: 12.9535 ± 0.0015 Å
• α: 109.358 ± 0.002°
• β: 97.345 ± 0.002°
• γ: 104.076 ± 0.002°
• Cell volume: 1464.8 ± 0.3 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: 0.0581
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 0.832
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No