Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1543528
Preview
| Coordinates | 1543528.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C8 H14 N2 O3 |
|---|---|
| Calculated formula | C8 H14 N2 O3 |
| SMILES | O1CCN(C1=N)C(=O)OC(C)(C)C |
| Title of publication | Cationic ring-opening polymerization of protected oxazolidine imines resulting in gradient copolymers of poly(2-oxazoline) and poly(urea) |
| Authors of publication | Leiske, Meike N.; Hartlieb, Matthias; Sobotta, Fabian H.; Paulus, Renzo M.; Görls, Helmar; Bellstedt, Peter; Schubert, Ulrich S. |
| Journal of publication | Polym. Chem. |
| Year of publication | 2016 |
| Journal volume | 7 |
| Journal issue | 30 |
| Pages of publication | 4924 |
| a | 9.7713 ± 0.0007 Å |
| b | 9.5154 ± 0.0007 Å |
| c | 11.5372 ± 0.0009 Å |
| α | 90° |
| β | 113.738 ± 0.004° |
| γ | 90° |
| Cell volume | 981.95 ± 0.13 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0802 |
| Residual factor for significantly intense reflections | 0.0682 |
| Weighted residual factors for significantly intense reflections | 0.1284 |
| Weighted residual factors for all reflections included in the refinement | 0.132 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.307 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1543528.cif |
| 185676 | 2016-08-07 | cif/ Updating files of 1543528 Original log message: Adding full bibliography for 1543528.cif. |
1543528.cif |
| 183928 | 2016-06-25 | cif/ Adding structures of 1543528 via cif-deposit CGI script. |
1543528.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.