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Information card for entry 7115517
Preview
Coordinates | 7115517.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H34 F3 O3 P S |
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Calculated formula | C28 H34 F3 O3 P S |
SMILES | C(=C1C=CC(C=C1)[PH+](C(C)(C)C)C(C)(C)C)(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 | 12.3858 ± 0.0012 Å |
b | 10.4816 ± 0.001 Å |
c | 21.683 ± 0.002 Å |
α | 90° |
β | 93.545 ± 0.002° |
γ | 90° |
Cell volume | 2809.6 ± 0.5 Å3 |
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/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0907 |
Residual factor for significantly intense reflections | 0.0502 |
Weighted residual factors for significantly intense reflections | 0.1245 |
Weighted residual factors for all reflections included in the refinement | 0.1476 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7115517.html
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