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Information card for entry 4131739
Preview
| Coordinates | 4131739.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H30 Br2 Co N4 |
|---|---|
| Calculated formula | C27 H30 Br2 Co N4 |
| SMILES | Br[Co]12(Br)[N](=C(c3[n]1c(ccc3)C1=[N]2[C@H](CN1c1ccccc1)C(C)C)C)c1c(cccc1C)C |
| Title of publication | Cobalt-Catalyzed Asymmetric Sequential Hydroboration/Hydrogenation of Internal Alkynes. |
| Authors of publication | Guo, Jun; Cheng, Biao; Shen, Xuzhong; Lu, Zhan |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 43 |
| Pages of publication | 15316 - 15319 |
| a | 11.9911 ± 0.0009 Å |
| b | 8.7896 ± 0.0006 Å |
| c | 12.6256 ± 0.0012 Å |
| α | 90° |
| β | 100.063 ± 0.008° |
| γ | 90° |
| Cell volume | 1310.23 ± 0.19 Å3 |
| Cell temperature | 169.9 K |
| Ambient diffraction temperature | 169.9 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0721 |
| Residual factor for significantly intense reflections | 0.0593 |
| Weighted residual factors for significantly intense reflections | 0.1322 |
| Weighted residual factors for all reflections included in the refinement | 0.1449 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 241908 (current) | 2019-11-25 | cif/ Adding structures of 4131739 via cif-deposit CGI script. |
4131739.cif |
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Users of the data should acknowledge the original authors of the
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