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Information card for entry 4132062
Preview
| Coordinates | 4132062.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C71 H65 Cl N2 Ni |
|---|---|
| Calculated formula | C71 H65 Cl N2 Ni |
| Title of publication | Nickel-Catalyzed Enantioselective Pyridone C-H Functionalizations Enabled by a Bulky N-Heterocyclic Carbene Ligand. |
| Authors of publication | Diesel, Johannes; Finogenova, Anastasiia M.; Cramer, Nicolai |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 13 |
| Pages of publication | 4489 - 4493 |
| a | 12.34517 ± 0.00016 Å |
| b | 21.7875 ± 0.0003 Å |
| c | 22.0081 ± 0.0003 Å |
| α | 90° |
| β | 98.0106 ± 0.0012° |
| γ | 90° |
| Cell volume | 5861.77 ± 0.14 Å3 |
| Cell temperature | 140 ± 0.1 K |
| Ambient diffraction temperature | 140 ± 0.1 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 | 0.055 |
| Residual factor for significantly intense reflections | 0.0491 |
| Weighted residual factors for significantly intense reflections | 0.1261 |
| Weighted residual factors for all reflections included in the refinement | 0.1323 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242104 (current) | 2019-11-25 | cif/ Adding structures of 4132062 via cif-deposit CGI script. |
4132062.cif |
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