Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1559341
Preview
| Coordinates | 1559341.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C11 H10 O4 |
|---|---|
| Calculated formula | C11 H10 O4 |
| SMILES | O=C1O[C@@H](C(=O)O[C@@H]1c1ccccc1)C.O=C1O[C@H](C(=O)O[C@H]1c1ccccc1)C |
| Title of publication | Substituted glycolides from natural sources: preparation, alcoholysis and polymerization |
| Authors of publication | Nifant'ev, Ilya E.; Shlyakhtin, Andrey V.; Bagrov, Vladimir V.; Tavtorkin, Alexander N.; Komarov, Pavel D.; Churakov, Andrei V.; Ivchenko, Pavel V. |
| Journal of publication | Polymer Chemistry |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 43 |
| Pages of publication | 6890 - 6902 |
| a | 9.2468 ± 0.0004 Å |
| b | 15.2962 ± 0.0005 Å |
| c | 6.6028 ± 0.0002 Å |
| α | 90° |
| β | 95.037 ± 0.001° |
| γ | 90° |
| Cell volume | 930.3 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0497 |
| Residual factor for significantly intense reflections | 0.0408 |
| Weighted residual factors for significantly intense reflections | 0.0889 |
| Weighted residual factors for all reflections included in the refinement | 0.0932 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1559341.cif |
| 259627 | 2020-12-06 | cif/ Updating files of 1559341 Original log message: Adding full bibliography for 1559341.cif. |
1559341.cif |
| 258325 | 2020-10-13 | cif/ Adding structures of 1559341 via cif-deposit CGI script. |
1559341.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.