Information card for entry 7003662

Structure parameters

• Formula: C25 H28 F3 O3 P S
• Calculated formula: C25 H28 F3 O3 P S
• SMILES: c1(c(C)cc(C)cc1C)[P+](C)(C)C(c1ccccc1)c1ccccc1.C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Chemical functionality of poly(methylenephosphine): phosphine‒borane adducts and methylphosphonium ionomers
• Authors of publication: Noonan, Kevin J. T.; Feldscher, Bastian; Bates, Joshua I.; Kingsley, Justin J.; Yam, Mandy; Gates, Derek P.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 33
• Pages of publication: 4451 - 4457
• a: 10.118 ± 0.005 Å
• b: 17.583 ± 0.005 Å
• c: 13.314 ± 0.005 Å
• α: 90 ± 0.005°
• β: 98.166 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2344.6 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No