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Information card for entry 4071946
Preview
| Coordinates | 4071946.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C80 H116 Mg2 O8 S2 |
|---|---|
| Calculated formula | C80 H116 Mg2 O8 S2 |
| SMILES | [Mg]12([O]([Mg]3([O]2c2c(cc(cc2[C@@H](c2cc(cc(c2O[S@](=[O]3)(=O)c2ccccc2)C(C)(C)C)C(C)(C)C)C)C(C)(C)C)C(C)(C)C)CCCC)c2c(cc(cc2[C@@H](c2cc(cc(c2O[S@](=[O]1)(=O)c1ccccc1)C(C)(C)C)C(C)(C)C)C)C(C)(C)C)C(C)(C)C)CCCC |
| Title of publication | Preparation, Characterization, and Catalytic Studies of Magnesium Phenoxides: Highly Active Initiators for Ring-Opening Polymerization ofl-Lactide |
| Authors of publication | Wu, Jincai; Chen, Yi-Zhen; Hung, Wen-Chou; Lin, Chu-Chieh |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 19 |
| Pages of publication | 4970 |
| a | 19.5642 ± 0.0012 Å |
| b | 19.5642 ± 0.0012 Å |
| c | 19.5642 ± 0.0012 Å |
| α | 101.023 ± 0.001° |
| β | 101.023 ± 0.001° |
| γ | 101.023 ± 0.001° |
| Cell volume | 7010.1 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 146 |
| Hermann-Mauguin space group symbol | R 3 :R |
| Hall space group symbol | P 3* |
| Residual factor for all reflections | 0.1505 |
| Residual factor for significantly intense reflections | 0.0853 |
| Weighted residual factors for significantly intense reflections | 0.1973 |
| Weighted residual factors for all reflections included in the refinement | 0.2257 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178608 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/19. |
4071946.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4071946.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071946.cif |
| 44137 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071946 via cif-deposit CGI script. |
4071946.cif |
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Users of the data should acknowledge the original authors of the
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