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Information card for entry 1516151
Preview
| Coordinates | 1516151.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C46 H46 Mg O4 |
|---|---|
| Calculated formula | C46 H46 Mg O4 |
| SMILES | [Mg](OC(c1ccccc1)(c1ccccc1)c1ccccc1)([O]1CCCC1)(OC(c1ccccc1)(c1ccccc1)c1ccccc1)[O]1CCCC1 |
| Title of publication | Immortal ring-opening polymerization of ε-caprolactone by a neat magnesium catalyst system: an approach to obtain block and amphiphilic star polymers in situ |
| Authors of publication | Wang, Yang; Liu, Bo; Wang, Xue; Zhao, Wei; Liu, Dongtao; Liu, Xinli; Cui, Dongmei |
| Journal of publication | Polymer Chemistry |
| Year of publication | 2014 |
| Journal volume | 5 |
| Journal issue | 15 |
| Pages of publication | 4580 |
| a | 19.0981 ± 0.0016 Å |
| b | 9.6221 ± 0.0008 Å |
| c | 22.024 ± 0.003 Å |
| α | 90° |
| β | 109.389 ± 0.001° |
| γ | 90° |
| Cell volume | 3817.7 ± 0.7 Å3 |
| Cell temperature | 144.5 ± 0.2 K |
| Ambient diffraction temperature | 144.5 ± 0.2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0626 |
| Residual factor for significantly intense reflections | 0.0437 |
| Weighted residual factors for significantly intense reflections | 0.1079 |
| Weighted residual factors for all reflections included in the refinement | 0.1192 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1516151.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1516151.cif |
| 119533 | 2014-07-07 | cif/ Updating files of 1516151 Original log message: Adding full bibliography for 1516151.cif. |
1516151.cif |
| 114012 | 2014-05-20 | cif/ Adding structures of 1516151 via cif-deposit CGI script. |
1516151.cif |
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