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Information card for entry 4104038
Preview
Coordinates | 4104038.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H11 B F15 N |
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Calculated formula | C25 H11 B F15 N |
SMILES | Fc1c(F)c(F)c(F)c(F)c1[BH](c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(c1F)F.[nH+]1c(cccc1C)C |
Title of publication | Lutidine/B(C6F5)3: At the Boundary of Classical and Frustrated Lewis Pair Reactivity |
Authors of publication | Stephen J. Geier; Douglas W. Stephan |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 3476 - 3477 |
a | 17.8525 ± 0.0012 Å |
b | 9.8407 ± 0.0007 Å |
c | 15.2683 ± 0.001 Å |
α | 90° |
β | 115.01 ± 0.003° |
γ | 90° |
Cell volume | 2430.8 ± 0.3 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 5 |
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 | 0.1085 |
Residual factor for significantly intense reflections | 0.0516 |
Weighted residual factors for significantly intense reflections | 0.1311 |
Weighted residual factors for all reflections included in the refinement | 0.168 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
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/4104038.html
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