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Information card for entry 4514707
Preview
| Coordinates | 4514707.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H28 Cl2 Co N4 O |
|---|---|
| Calculated formula | C26 H28 Cl2 Co N4 O |
| SMILES | [Co]1(Cl)(Cl)[n]2c(cccc2C(=O)[N]1=c1c(cccc1)=C1N(C[C@@H](N1)C(C)(C)C)c1ccccc1)C |
| Title of publication | Cobalt-Catalyzed Asymmetric Markovnikov Hydroboration of Styrenes |
| Authors of publication | Chen, Xu; Cheng, Zhaoyang; Lu, Zhan |
| Journal of publication | ACS Catalysis |
| Year of publication | 2019 |
| Journal volume | 9 |
| Journal issue | 5 |
| Pages of publication | 4025 |
| a | 9.5625 ± 0.0005 Å |
| b | 11.3203 ± 0.0004 Å |
| c | 24.4937 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2651.5 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293.15 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0523 |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for significantly intense reflections | 0.0763 |
| Weighted residual factors for all reflections included in the refinement | 0.0842 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219878 (current) | 2019-10-28 | cif/ Adding structures of 4514707 via cif-deposit CGI script. |
4514707.cif |
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