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Information card for entry 1547598
Preview
| Coordinates | 1547598.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C47 H57 N3 O2 Si2 Zn |
|---|---|
| Calculated formula | C47 H57 N3 O2 Si2 Zn |
| SMILES | [Zn]12(Oc3c(cc(cc3C[N]1(Cc1oc3ccccc3[n]21)C1CCCCC1)C)C(c1ccccc1)(c1ccccc1)c1ccccc1)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 | 11.974 ± 0.002 Å |
| b | 14.298 ± 0.003 Å |
| c | 15.031 ± 0.003 Å |
| α | 72.657 ± 0.004° |
| β | 79.561 ± 0.004° |
| γ | 86.664 ± 0.004° |
| Cell volume | 2415.7 ± 0.8 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1264 |
| Residual factor for significantly intense reflections | 0.0597 |
| Weighted residual factors for significantly intense reflections | 0.1131 |
| Weighted residual factors for all reflections included in the refinement | 0.1285 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.846 |
| 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. |
1547598.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. |
1547598.cif |
| 201790 | 2017-10-06 | cif/ Adding structures of 1547592, 1547593, 1547594, 1547595, 1547596, 1547597, 1547598 via cif-deposit CGI script. |
1547598.cif |
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Users of the data should acknowledge the original authors of the
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