Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4517483
Preview
| Coordinates | 4517483.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C61 H58 Co O5 P3 |
|---|---|
| Calculated formula | C61 H58 Co O5 P3 |
| 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 | 15.294 ± 0.0008 Å |
| b | 15.9747 ± 0.0008 Å |
| c | 22.8893 ± 0.0012 Å |
| α | 90° |
| β | 109.52° |
| γ | 90° |
| Cell volume | 5270.8 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0416 |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for significantly intense reflections | 0.1101 |
| Weighted residual factors for all reflections included in the refinement | 0.1138 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4517483.cif |
| 249230 | 2020-03-11 | cif/ Adding structures of 4517483 via cif-deposit CGI script. |
4517483.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.