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Information card for entry 1518782
Preview
| Coordinates | 1518782.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (salen)Co-CO2CH3 |
|---|---|
| Formula | C38 H55 Co N2 O4 |
| Calculated formula | C38 H55 Co N2 O4 |
| SMILES | [Co]123(Oc4c(C=[N]2[C@H]2CCCC[C@@H]2[N]3=Cc2cc(cc(C(C)(C)C)c2O1)C(C)(C)C)cc(cc4C(C)(C)C)C(C)(C)C)C(=O)OC.[Co]123(Oc4c(C=[N]2[C@@H]2CCCC[C@H]2[N]3=Cc2cc(cc(C(C)(C)C)c2O1)C(C)(C)C)cc(cc4C(C)(C)C)C(C)(C)C)C(=O)OC |
| Title of publication | A well-defined, versatile photoinitiator (salen)Co‒CO2CH3for visible light-initiated living/controlled radical polymerization |
| Authors of publication | Zhao, Yaguang; Yu, Mengmeng; Zhang, Shuailin; Wu, Zhenqiang; Liu, Yuchu; Peng, Chi-How; Fu, Xuefeng |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 5 |
| Pages of publication | 2979 |
| a | 17.569 ± 0.004 Å |
| b | 10.302 ± 0.002 Å |
| c | 19.781 ± 0.004 Å |
| α | 90° |
| β | 100.629 ± 0.002° |
| γ | 90° |
| Cell volume | 3518.8 ± 1.3 Å3 |
| Cell temperature | 173.15 K |
| Ambient diffraction temperature | 173.15 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 | 0.073 |
| Residual factor for significantly intense reflections | 0.0698 |
| Weighted residual factors for significantly intense reflections | 0.1519 |
| Weighted residual factors for all reflections included in the refinement | 0.1534 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.26 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 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. |
1518782.cif |
| 138497 | 2015-06-07 | cif/ Updating files of 1518782 Original log message: Adding full bibliography for 1518782.cif. |
1518782.cif |
| 133472 | 2015-03-06 | cif/ Adding structures of 1518782 via cif-deposit CGI script. |
1518782.cif |
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