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Information card for entry 7032252
Preview
Coordinates | 7032252.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C53 H48 B F15 N2 |
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Calculated formula | C53 H48 B F15 N2 |
SMILES | Fc1c(c(F)c(F)c(c1F)F)[B](CC1[N+](=CN(C1)c1c(C(C)C)cccc1C(C)C)c1c(cccc1C(C)C)C(C)C)(c1c(F)c(F)c(F)c(c1F)F)c1c(F)c(F)c(F)c(c1F)F.c1c(C)cccc1 |
Title of publication | Anionic N-heterocyclic carbenes (NHCs): a versatile route to saturated NHCs bearing pendant weakly coordinating anions. |
Authors of publication | Phillips, Nicholas; Tirfoin, Rémi; Aldridge, Simon |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 41 |
Pages of publication | 15279 - 15282 |
a | 35.4499 ± 0.0003 Å |
b | 11.1438 ± 0.0001 Å |
c | 25.165 ± 0.0002 Å |
α | 90° |
β | 104.286 ± 0.0003° |
γ | 90° |
Cell volume | 9633.92 ± 0.14 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0875 |
Residual factor for significantly intense reflections | 0.0603 |
Weighted residual factors for all reflections | 0.1603 |
Weighted residual factors for significantly intense reflections | 0.134 |
Weighted residual factors for all reflections included in the refinement | 0.1603 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9296 |
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/7032252.html
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Users of the data should acknowledge the original authors of the
structural data.