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Information card for entry 4132059
Preview
| Coordinates | 4132059.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C55 H55 Cl3 N2 Ni |
|---|---|
| Calculated formula | C55 H55 Cl3 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 | 13.46881 ± 0.00019 Å |
| b | 23.5381 ± 0.0003 Å |
| c | 14.6728 ± 0.0002 Å |
| α | 90° |
| β | 96.9576 ± 0.0013° |
| γ | 90° |
| Cell volume | 4617.47 ± 0.11 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 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 | 0.044 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.1044 |
| Weighted residual factors for all reflections included in the refinement | 0.1085 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242101 (current) | 2019-11-25 | cif/ Adding structures of 4132059 via cif-deposit CGI script. |
4132059.cif |
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Users of the data should acknowledge the original authors of the
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