Information card for entry 7121036

Structure parameters

• Formula: C20 H15 F6 O3 P S
• Calculated formula: C20 H15 F6 O3 P S
• SMILES: [P+](c1ccccc1)(c1ccccc1)(C(F)(F)F)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Air- and water-stable Lewis acids: synthesis and reactivity of P-trifluoromethyl electrophilic phosphonium cations.
• Authors of publication: Fasano, V.; LaFortune, J. H. W.; Bayne, J. M.; Ingleson, M. J.; Stephan, D. W.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 662 - 665
• a: 21.9081 ± 0.0006 Å
• b: 8.3531 ± 0.0002 Å
• c: 22.4426 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4107 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No