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Information card for entry 4067117
Preview
Coordinates | 4067117.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H19 B F15 N |
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Calculated formula | C34 H19 B F15 N |
SMILES | Fc1c([C@H]2[B-]([C@H]3C(=C2c2ccccc2)C[N+](=C3)C(C)(C)C)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c(F)c(F)c1F |
Title of publication | Addition of Enamines or Pyrroles and B(C6F5)3“Frustrated Lewis Pairs” to Alkynes |
Authors of publication | Dureen, Meghan A.; Brown, Christopher C.; Stephan, Douglas W. |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 23 |
Pages of publication | 6422 |
a | 19.031 ± 0.002 Å |
b | 13.5891 ± 0.0016 Å |
c | 24.745 ± 0.003 Å |
α | 90° |
β | 105.483 ± 0.006° |
γ | 90° |
Cell volume | 6167.2 ± 1.2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
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 | 0.124 |
Residual factor for significantly intense reflections | 0.0535 |
Weighted residual factors for significantly intense reflections | 0.12 |
Weighted residual factors for all reflections included in the refinement | 0.1524 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.975 |
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/4067117.html
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Users of the data should acknowledge the original authors of the
structural data.