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Information card for entry 4128969
Preview
| Coordinates | 4128969.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H26 Co N5 |
|---|---|
| Calculated formula | C23 H26 Co N5 |
| SMILES | [Co]123[n]4c(C(=[N]1CCc1[n]3cccc1)C)cccc4C(N2CCc1ncccc1)C |
| Title of publication | Efficient Cobalt Catalyst for Ambient-Temperature Nitrile Dihydroboration, the Elucidation of a Chelate-Assisted Borylation Mechanism, and a New Synthetic Route to Amides. |
| Authors of publication | Ghosh, Chandrani; Kim, Suyeon; Mena, Matthew R.; Kim, Jun-Hyeong; Pal, Raja; Rock, Christopher L.; Groy, Thomas L.; Baik, Mu-Hyun; Trovitch, Ryan J. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 38 |
| Pages of publication | 15327 - 15337 |
| a | 8.6432 ± 0.001 Å |
| b | 11.3302 ± 0.0013 Å |
| c | 11.4891 ± 0.0014 Å |
| α | 105.192 ± 0.002° |
| β | 92.884 ± 0.002° |
| γ | 107.735 ± 0.002° |
| Cell volume | 1023.8 ± 0.2 Å3 |
| Cell temperature | 123 ± 0.1 K |
| Ambient diffraction temperature | 123 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.052 |
| Residual factor for significantly intense reflections | 0.0412 |
| Weighted residual factors for significantly intense reflections | 0.0925 |
| Weighted residual factors for all reflections included in the refinement | 0.0974 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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