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Information card for entry 7032253
Preview
Coordinates | 7032253.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C47 H42 B F15 N2 |
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Calculated formula | C47 H42 B F15 N2 |
SMILES | Fc1c(F)c(F)c(c(c1F)F)[B](c1c(F)c(F)c(F)c(c1F)F)(CC1[N+](=CN(c2c(C(C)C)cccc2C(C)C)CC1)c1c(C(C)C)cccc1C(C)C)c1c(F)c(F)c(F)c(c1F)F |
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 | 10.4429 ± 0.0001 Å |
b | 32.1025 ± 0.0005 Å |
c | 12.9291 ± 0.0002 Å |
α | 90° |
β | 100.008 ± 0.0012° |
γ | 90° |
Cell volume | 4268.44 ± 0.1 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/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0492 |
Residual factor for significantly intense reflections | 0.0471 |
Weighted residual factors for all reflections | 0.1281 |
Weighted residual factors for significantly intense reflections | 0.1258 |
Weighted residual factors for all reflections included in the refinement | 0.1281 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0077 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7032253.html
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Users of the data should acknowledge the original authors of the
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