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Information card for entry 1520303
Preview
| Coordinates | 1520303.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H23 Cl N2 Ni |
|---|---|
| Calculated formula | C13 H23 Cl N2 Ni |
| SMILES | [Ni]1(Cl)([N](C)(C)CC[N]1(C)C)c1ccccc1C |
| Title of publication | A modular, air-stable nickel precatalyst. |
| Authors of publication | Shields, Jason D.; Gray, Erin E.; Doyle, Abigail G. |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 9 |
| Pages of publication | 2166 - 2169 |
| a | 11.1164 ± 0.0006 Å |
| b | 12.6843 ± 0.0007 Å |
| c | 11.5897 ± 0.0007 Å |
| α | 90° |
| β | 118.363 ± 0.002° |
| γ | 90° |
| Cell volume | 1438.02 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0583 |
| Residual factor for significantly intense reflections | 0.0502 |
| Weighted residual factors for significantly intense reflections | 0.1216 |
| Weighted residual factors for all reflections included in the refinement | 0.1258 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.394 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 138030 (current) | 2015-06-05 | cif/ Adding structures of 1520303 via cif-deposit CGI script. |
1520303.cif |
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Users of the data should acknowledge the original authors of the
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