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Information card for entry 7039366
Preview
| Coordinates | 7039366.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H68 Mg N3 O Si2 |
|---|---|
| Calculated formula | C40 H68 Mg N3 O Si2 |
| SMILES | [Mg]12([N](Cc3c(O2)c(cc(c3)C(C)(C)C)C(C)(C)C)(C[C@H]2[N]1(CCC2)CCCC)Cc1ccccc1)N([Si](C)(C)C)[Si](C)(C)C.c1ccccc1 |
| Title of publication | Diastereoselective synthesis of chiral aminophenolate magnesium complexes and their application in the stereoselective polymerization of rac-lactide and rac-β-butyrolactone. |
| Authors of publication | Wang, Haobing; Guo, Jianshuang; Yang, Yang; Ma, Haiyan |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 27 |
| Pages of publication | 10942 - 10953 |
| a | 10.578 ± 0.003 Å |
| b | 17.438 ± 0.005 Å |
| c | 23.315 ± 0.007 Å |
| α | 90° |
| β | 100.208 ± 0.005° |
| γ | 90° |
| Cell volume | 4233 ± 2 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1257 |
| Residual factor for significantly intense reflections | 0.0702 |
| Weighted residual factors for significantly intense reflections | 0.1424 |
| Weighted residual factors for all reflections included in the refinement | 0.167 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.992 |
| Diffraction radiation wavelength | 0.71073 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. |
7039366.cif |
| 192220 | 2017-02-17 | cif/7 Fixing Z values and formulae |
7039366.cif |
| 185401 | 2016-08-07 | cif/ Updating files of 7039365, 7039366, 7039367, 7039368 Original log message: Adding full bibliography for 7039365--7039368.cif. |
7039366.cif |
| 183198 | 2016-06-01 | cif/ Adding structures of 7039365, 7039366, 7039367, 7039368 via cif-deposit CGI script. |
7039366.cif |
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