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Information card for entry 4514636
Preview
| Coordinates | 4514636.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C51 H57 Cl Ni O2 P2 |
|---|---|
| Calculated formula | C51 H57 Cl Ni O2 P2 |
| Title of publication | Nickel-Catalyzed C‒N Cross-Coupling of Ammonia, (Hetero)anilines, and Indoles with Activated (Hetero)aryl Chlorides Enabled by Ligand Design |
| Authors of publication | McGuire, Ryan T.; Paffile, Julia F. J.; Zhou, Yuqiao; Stradiotto, Mark |
| Journal of publication | ACS Catalysis |
| Year of publication | 2019 |
| Journal volume | 9 |
| Journal issue | 10 |
| Pages of publication | 9292 |
| a | 13.151 ± 0.005 Å |
| b | 15.965 ± 0.006 Å |
| c | 21.319 ± 0.008 Å |
| α | 90° |
| β | 91.921 ± 0.006° |
| γ | 90° |
| Cell volume | 4474 ± 3 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.056 |
| Residual factor for significantly intense reflections | 0.0421 |
| Weighted residual factors for significantly intense reflections | 0.1105 |
| Weighted residual factors for all reflections included in the refinement | 0.1206 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219819 (current) | 2019-10-28 | cif/ Adding structures of 4514636 via cif-deposit CGI script. |
4514636.cif |
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Users of the data should acknowledge the original authors of the
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