Information card for entry 7115523

Structure parameters

• Formula: C32 H38 F3 O3 P S
• Calculated formula: C32 H38 F3 O3 P S
• SMILES: C(c1ccccc1)(c1ccccc1)(c1ccccc1)[PH+](C1CCCCC1)C1CCCCC1.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: 9.7033 ± 0.0001 Å
• b: 17.8716 ± 0.0002 Å
• c: 16.8564 ± 0.0002 Å
• α: 90°
• β: 93.436 ± 0.001°
• γ: 90°
• Cell volume: 2917.87 ± 0.06 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No