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Information card for entry 4068092
Preview
Coordinates | 4068092.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H39 B N2 |
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Calculated formula | C33 H39 B N2 |
SMILES | n1([C@@H](C(C)(C)C)c2cccc3c2cccc3)c([n+]([C@H](c2c3ccccc3ccc2)C(C)(C)C)cc1)[BH3] |
Title of publication | Chiral N-Heterocyclic Carbene Borane Complexes: Synthesis and Structural Analysis |
Authors of publication | Banerjee, Dipshikha; Besnard, Céline; Kündig, E. Peter |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 2 |
Pages of publication | 709 |
a | 20.7759 ± 0.0008 Å |
b | 7.1727 ± 0.0003 Å |
c | 19.0739 ± 0.0006 Å |
α | 90° |
β | 106.583 ± 0.004° |
γ | 90° |
Cell volume | 2724.16 ± 0.19 Å3 |
Cell temperature | 189.9 K |
Ambient diffraction temperature | 189.9 K |
Number of distinct elements | 4 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0681 |
Residual factor for significantly intense reflections | 0.0542 |
Weighted residual factors for significantly intense reflections | 0.1336 |
Weighted residual factors for all reflections included in the refinement | 0.1448 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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