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Information card for entry 4517484
Preview
| Coordinates | 4517484.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C57 H43 Co O6 P3 |
|---|---|
| Calculated formula | C57 H43 Co O6 P3 |
| SMILES | [Co]12(OC(=O)c3ccccc3)([P@@](C(C)(C)C)(c3ccccc3[P]1(c1ccccc1)c1ccccc1)c1c(P(=[O]2)(c2ccccc2)c2ccccc2)cccc1)([OH2])OC(=O)c1ccccc1 |
| Title of publication | Cobalt-Catalyzed gem-Cross-Dimerization of Terminal Alkynes |
| Authors of publication | Chen, Jia-Feng; Li, Changkun |
| Journal of publication | ACS Catalysis |
| Year of publication | 2020 |
| Pages of publication | 3881 |
| a | 11.1714 ± 0.0003 Å |
| b | 19.5049 ± 0.0005 Å |
| c | 22.2984 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4858.8 ± 0.2 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.07 |
| Residual factor for significantly intense reflections | 0.0683 |
| Weighted residual factors for significantly intense reflections | 0.2013 |
| Weighted residual factors for all reflections included in the refinement | 0.2036 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 249231 (current) | 2020-03-11 | cif/ Adding structures of 4517484 via cif-deposit CGI script. |
4517484.cif |
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