Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7039367
Preview
| Coordinates | 7039367.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C45 H65 Mg N3 O Si2 |
|---|---|
| Calculated formula | C45 H65 Mg N3 O Si2 |
| SMILES | [Mg]12([N](Cc3c(O2)c(cc(c3)C(C)(C)c2ccccc2)C(C)(C)c2ccccc2)(C[C@H]2[N]1(CCC2)CC)Cc1ccccc1)N([Si](C)(C)C)[Si](C)(C)C |
| 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 | 8.7667 ± 0.0015 Å |
| b | 11.5603 ± 0.0019 Å |
| c | 12.315 ± 0.002 Å |
| α | 64.61 ± 0.003° |
| β | 78.219 ± 0.003° |
| γ | 88.125 ± 0.003° |
| Cell volume | 1101.6 ± 0.3 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0714 |
| Residual factor for significantly intense reflections | 0.058 |
| Weighted residual factors for significantly intense reflections | 0.1528 |
| Weighted residual factors for all reflections included in the refinement | 0.1728 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| 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. |
7039367.cif |
| 185401 | 2016-08-07 | cif/ Updating files of 7039365, 7039366, 7039367, 7039368 Original log message: Adding full bibliography for 7039365--7039368.cif. |
7039367.cif |
| 183198 | 2016-06-01 | cif/ Adding structures of 7039365, 7039366, 7039367, 7039368 via cif-deposit CGI script. |
7039367.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.