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Information card for entry 4068226
Preview
Coordinates | 4068226.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H38 B F3 N2 O5 S |
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Calculated formula | C28 H38 B F3 N2 O5 S |
SMILES | B(O)(O)c1n(cc[n+]1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.S(=O)(=O)([O-])C(F)(F)F |
Title of publication | Reactions of Boron-Substituted N-Heterocyclic Carbene Boranes with Triflic Acid. Isolation of a New Dihydroxyborenium Cation |
Authors of publication | Solovyev, Andrey; Geib, Steven J.; Lacôte, Emmanuel; Curran, Dennis P. |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 1 |
Pages of publication | 54 |
a | 11.596 ± 0.006 Å |
b | 15.429 ± 0.008 Å |
c | 19.414 ± 0.01 Å |
α | 69.981 ± 0.01° |
β | 77.435 ± 0.012° |
γ | 86.115 ± 0.012° |
Cell volume | 3185 ± 3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1262 |
Residual factor for significantly intense reflections | 0.0722 |
Weighted residual factors for significantly intense reflections | 0.1713 |
Weighted residual factors for all reflections included in the refinement | 0.1971 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.959 |
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/4068226.html
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Users of the data should acknowledge the original authors of the
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