Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1560605
Preview
| Coordinates | 1560605.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C44 H49 Cl2 Na O6 |
|---|---|
| Calculated formula | C44 H49 Cl2 Na O6 |
| SMILES | [Na]1234(Oc5c(cc(cc5C(c5ccccc5)c5ccccc5)C)C(c5ccccc5)c5ccccc5)[O]5CC[O]1CC[O]3CC[O]4CC[O]2CC5.ClCCl |
| Title of publication | Sodium complexes bearing cavity-like conformations: a highly active and well-controlled catalytic system for macrolactone homo- and copolymerization |
| Authors of publication | Wang, Xinya; Wang, Xiaohua; Zhen, Nuo; Gu, Jin; Zhang, Hao; Dong, Bo; Wang, Feng; Liu, Heng |
| Journal of publication | Polymer Chemistry |
| Year of publication | 2021 |
| Journal volume | 12 |
| Journal issue | 13 |
| Pages of publication | 1957 - 1966 |
| a | 9.6802 ± 0.0007 Å |
| b | 11.1157 ± 0.0008 Å |
| c | 19.9995 ± 0.0015 Å |
| α | 74.62 ± 0.001° |
| β | 88.918 ± 0.001° |
| γ | 78.973 ± 0.002° |
| Cell volume | 2035.5 ± 0.3 Å3 |
| Cell temperature | 191 ± 2 K |
| Ambient diffraction temperature | 191 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1467 |
| Residual factor for significantly intense reflections | 0.0899 |
| Weighted residual factors for significantly intense reflections | 0.2331 |
| Weighted residual factors for all reflections included in the refinement | 0.2782 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301787 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/56 Each referenced PubChem compound corresponds to the full crystal structure. |
1560605.cif |
| 264966 | 2021-05-05 | cif/ Updating files of 1560605 Original log message: Adding full bibliography for 1560605.cif. |
1560605.cif |
| 262181 | 2021-02-24 | cif/ Adding structures of 1560605 via cif-deposit CGI script. |
1560605.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.