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Information card for entry 7115516
Preview
Coordinates | 7115516.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H41 B F15 O P |
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Calculated formula | C44 H41 B F15 O P |
SMILES | [P+](C(C)(C)C)(C(C)(C)C)(C(C)(C)C)Cc1ccccc1.Fc1c(c(F)c(F)c(F)c1F)[B](OCc1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F |
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 | 11.5255 ± 0.0006 Å |
b | 14.8611 ± 0.0008 Å |
c | 11.8913 ± 0.0006 Å |
α | 90° |
β | 92.265 ± 0.003° |
γ | 90° |
Cell volume | 2035.17 ± 0.18 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0853 |
Residual factor for significantly intense reflections | 0.0517 |
Weighted residual factors for significantly intense reflections | 0.1007 |
Weighted residual factors for all reflections included in the refinement | 0.1136 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7115516.html
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Users of the data should acknowledge the original authors of the
structural data.