Information card for entry 7115522

Structure parameters

• Formula: C32 H26 F3 O3 P S
• Calculated formula: C32 H26 F3 O3 P S
• SMILES: C(F)(F)(F)S(=O)(=O)[O-].C(c1ccccc1)(c1ccccc1)(c1ccccc1)[PH+](c1ccccc1)c1ccccc1
• 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: 10.6205 ± 0.0007 Å
• b: 16.669 ± 0.0011 Å
• c: 15.7534 ± 0.0011 Å
• α: 90°
• β: 92.271 ± 0.001°
• γ: 90°
• Cell volume: 2786.7 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 1 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No