Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1547595
Preview
| Coordinates | 1547595.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C48 H59 N3 O2 Si2 Zn |
|---|---|
| Calculated formula | C48 H59 N3 O2 Si2 Zn |
| SMILES | [Zn@@]12([N](Cc3c(O2)c(cc(c3)C)C(c2ccccc2)(c2ccccc2)c2ccccc2)(CC2=[N]1[C@@H]1[C@H](O2)Cc2c1cccc2)CCCC)N([Si](C)(C)C)[Si](C)(C)C |
| Title of publication | Highly Isoselective and Active Zinc Catalysts for rac-Lactide Polymerization: Effect of Pendant Groups of Aminophenolate Ligands |
| Authors of publication | Kan, Chao; Hu, Jianwen; Huang, Yang; Wang, Haobing; Ma, Haiyan |
| Journal of publication | Macromolecules |
| Year of publication | 2017 |
| Journal volume | 50 |
| Journal issue | 20 |
| Pages of publication | 7911 |
| a | 11.216 ± 0.002 Å |
| b | 16.373 ± 0.003 Å |
| c | 23.726 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4357 ± 1.3 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1061 |
| Residual factor for significantly intense reflections | 0.0513 |
| Weighted residual factors for significantly intense reflections | 0.0896 |
| Weighted residual factors for all reflections included in the refinement | 0.1039 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.948 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1547595.cif |
| 203996 | 2017-12-05 | cif/ Updating files of 1547592, 1547593, 1547594, 1547595, 1547596, 1547597, 1547598 Original log message: Adding full bibliography for 1547592--1547598.cif. |
1547595.cif |
| 201790 | 2017-10-06 | cif/ Adding structures of 1547592, 1547593, 1547594, 1547595, 1547596, 1547597, 1547598 via cif-deposit CGI script. |
1547595.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.