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Information card for entry 1542434
Preview
Coordinates | 1542434.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | [1,3-Me2-4,5-Cl2-imidazolium][B((C6F5)3)-Z-(2-methylstyrene)] |
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Formula | C32 H16 B Cl2 F15 N2 |
Calculated formula | C32 H16 B Cl2 F15 N2 |
SMILES | [B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)/C=C/c1ccc(cc1)C.Clc1n(C)c[n+](C)c1Cl |
Title of publication | Highly selective catalytic trans-hydroboration of alkynes mediated by borenium cations and B(C6F5)3 |
Authors of publication | McGough, John S.; Butler, Samuel M.; Cade, Ian A.; Ingleson, Michael J. |
Journal of publication | Chem. Sci. |
Year of publication | 2016 |
Journal volume | 7 |
Journal issue | 5 |
Pages of publication | 3384 |
a | 15.2641 ± 0.0004 Å |
b | 10.389 ± 0.0003 Å |
c | 19.5887 ± 0.0006 Å |
α | 90° |
β | 92.115 ± 0.003° |
γ | 90° |
Cell volume | 3104.24 ± 0.15 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 6 |
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 | 0.0714 |
Residual factor for significantly intense reflections | 0.0487 |
Weighted residual factors for all reflections | 0.1035 |
Weighted residual factors for significantly intense reflections | 0.0916 |
Weighted residual factors for all reflections included in the refinement | 0.1035 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9732 |
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/1542434.html
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Users of the data should acknowledge the original authors of the
structural data.