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Information card for entry 1546756
Preview
| Coordinates | 1546756.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H34 B N |
|---|---|
| Calculated formula | C20 H34 B N |
| SMILES | N1(C(C(CC1(C)C)(C)C)=[BH3])c1c(C(C)C)cccc1C(C)C |
| Title of publication | Nucleophilic Addition and Substitution at Coordinatively Saturated Boron by Facile 1,2-Hydrogen Shuttling onto a Carbene Donor |
| Authors of publication | Braunschweig, Holger; Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian; JIMENEZ-HALLA, J. OSCAR C.; Kupfer, Thomas |
| Journal of publication | Chem. Sci. |
| Year of publication | 2017 |
| a | 9.4869 ± 0.0007 Å |
| b | 16.4069 ± 0.0012 Å |
| c | 12.2003 ± 0.0008 Å |
| α | 90° |
| β | 93.931 ± 0.002° |
| γ | 90° |
| Cell volume | 1894.5 ± 0.2 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0481 |
| Residual factor for significantly intense reflections | 0.0411 |
| Weighted residual factors for significantly intense reflections | 0.1054 |
| Weighted residual factors for all reflections included in the refinement | 0.111 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199537 (current) | 2017-08-05 | cif/ Adding structures of 1546756, 1546757, 1546758, 1546759, 1546760, 1546761 via cif-deposit CGI script. |
1546756.cif |
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Users of the data should acknowledge the original authors of the
structural data.