Information card for entry 7044346

Structure parameters

• Formula: C26 H30 F3 N2 O5 P S
• Calculated formula: C26 H30 F3 N2 O5 P S
• SMILES: P(c1n2[C@H](COc2c2[n+]1[C@@H](C(C)C)CO2)C(C)C)(c1ccccc1)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Synthesis and Oxidation of Phosphine Cations†
• Authors of publication: Mehta, Meera; Johnstone, Tim; Lam, Jolie; Bidraha, Bid; Hermannsdorfer, Andre; Driess, Matthias; Stephan, Douglas W.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 10.4215 ± 0.0011 Å
• b: 10.431 ± 0.0013 Å
• c: 24.812 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2697.2 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No