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Information card for entry 1515926
Preview
| Coordinates | 1515926.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 08191a |
|---|---|
| Formula | C6 H6 O4 |
| Calculated formula | C6 H6 O4 |
| SMILES | O1C(=C)C(=O)O[C@H](C1=O)C |
| Title of publication | High Tg aliphatic polyesters by the polymerization of spirolactide derivatives |
| Authors of publication | Fiore, Gina L.; Jing, Feng; Young, Jr., Victor G.; Cramer, Christopher J.; Hillmyer, Marc A. |
| Journal of publication | Polymer Chemistry |
| Year of publication | 2010 |
| Journal volume | 1 |
| Journal issue | 6 |
| Pages of publication | 870 |
| a | 5.7525 ± 0.0012 Å |
| b | 7.0293 ± 0.0015 Å |
| c | 7.8151 ± 0.0016 Å |
| α | 90° |
| β | 99.916 ± 0.002° |
| γ | 90° |
| Cell volume | 311.29 ± 0.11 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0359 |
| Residual factor for significantly intense reflections | 0.0335 |
| Weighted residual factors for significantly intense reflections | 0.0921 |
| Weighted residual factors for all reflections included in the refinement | 0.0953 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1515926.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1515926.cif |
| 112455 | 2014-05-01 | cif/ Adding structures of 1515925, 1515926 via cif-deposit CGI script. |
1515926.cif |
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Users of the data should acknowledge the original authors of the
structural data.