Information card for entry 7115521

Structure parameters

• Formula: C13 H26 F3 O4 P S
• Calculated formula: C13 H26 F3 O4 P S
• SMILES: C(C)(C)(C)[PH+](C(C)(C)C)[C@H]1CCCO1.C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Frustrated Lewis pair-mediated C-O or C-H bond activation of ethers
• Authors of publication: Michael H. Holthausen; Tayseer Mahdi; Christoph Schlepphorst; Lindsay J. Hounjet; Jan J. Weigand; Douglas W. Stephan
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 10038
• a: 8.1984 ± 0.0001 Å
• b: 14.7753 ± 0.0002 Å
• c: 15.114 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1830.82 ± 0.04 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 1 K
• Number of distinct elements: 6
• 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: 0.0715
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1798
• Weighted residual factors for all reflections included in the refinement: 0.1822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No