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Information card for entry 7037097
Preview
| Coordinates | 7037097.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C66 H100 N4 Na4 O6 |
|---|---|
| Calculated formula | C66 H100 N4 Na4 O6 |
| SMILES | [Na]1234[O](c5c(C(C)(C)C)cc(cc5C[N]53CC[N]2(Cc2c([O]1[Na][O]1CCCC1)c(C(C)(C)C)cc(c2)C)CCC5)C)[Na]123[O]4c4c(C(C)(C)C)cc(cc4C[N]43CC[N]2(Cc2c([O]1[Na][O]1CCCC1)c(C(C)(C)C)cc(c2)C)CCC4)C |
| Title of publication | Ring-opening polymerization of rac-lactide mediated by tetrametallic lithium and sodium diamino-bis(phenolate) complexes. |
| Authors of publication | Alhashmialameer, Dalal; Ikpo, Nduka; Collins, Julie; Dawe, Louise N.; Hattenhauer, Karen; Kerton, Francesca M. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 46 |
| Pages of publication | 20216 - 20231 |
| a | 12.898 ± 0.004 Å |
| b | 13.741 ± 0.004 Å |
| c | 18.695 ± 0.006 Å |
| α | 90° |
| β | 101.518 ± 0.004° |
| γ | 90° |
| Cell volume | 3246.6 ± 1.7 Å3 |
| Cell temperature | 163 K |
| Ambient diffraction temperature | 163 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 | 0.0604 |
| Residual factor for significantly intense reflections | 0.0543 |
| Weighted residual factors for significantly intense reflections | 0.158 |
| Weighted residual factors for all reflections included in the refinement | 0.1653 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7037097.cif |
| 171136 | 2015-12-09 | cif/ Updating files of 7037096, 7037097 Original log message: Adding full bibliography for 7037096--7037097.cif. |
7037097.cif |
| 170114 | 2015-11-06 | cif/ Adding structures of 7037096, 7037097 via cif-deposit CGI script. |
7037097.cif |
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