Information card for entry 7102263

Structure parameters

• Formula: C19 H25 F6 O6 P5 S2
• Calculated formula: C19 H25 F6 O6 P5 S2
• SMILES: [P+]1(P([P+](P(P1C)C)(C)C)C)(c1ccccc1)c1ccccc1.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Synthesis and characterization of elusive cyclo-di- and -tri-phosphino-1,3-diphosphonium salts: fundamental frameworks in catena-organophosphorus chemistry.
• Authors of publication: Riegel, Susanne D; Burford, Neil; Lumsden, Michael D; Decken, Andreas
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 44
• Pages of publication: 4668 - 4670
• a: 7.925 ± 0.006 Å
• b: 11.951 ± 0.01 Å
• c: 16.193 ± 0.015 Å
• α: 72.451 ± 0.016°
• β: 78.848 ± 0.011°
• γ: 84.629 ± 0.012°
• Cell volume: 1434 ± 2 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 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: 0.0968
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1926
• Weighted residual factors for all reflections included in the refinement: 0.2079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No