Information card for entry 7115518

Structure parameters

• Formula: C34 H38 F5 O3 P S
• Calculated formula: C34 H38 F5 O3 P S
• SMILES: C(c1ccc(cc1)[PH+](C(C)(C)C)C(C)(C)C)(c1ccccc1)c1ccccc1.C(F)(F)(F)S(=O)(=O)[O-].c1(c(cccc1)F)F
• 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: 8.2485 ± 0.0002 Å
• b: 9.5183 ± 0.0002 Å
• c: 22.078 ± 0.0006 Å
• α: 88.372 ± 0.001°
• β: 86.027 ± 0.001°
• γ: 73.088 ± 0.001°
• Cell volume: 1654.37 ± 0.07 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1594
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No