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Information card for entry 1518550
Preview
| Coordinates | 1518550.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H18 O5 |
|---|---|
| Calculated formula | C20 H18 O5 |
| SMILES | O1C(Cc2ccccc2)(C(=C(O)C1=O)c1ccccc1)C(=O)OCC |
| Title of publication | Ring-opening polymerization of a 2,3-disubstituted oxirane leading to a polyether having a carbonyl–aromatic π-stacked structure |
| Authors of publication | Merlani, Maia; Koyama, Yasuhito; Sato, Hiroyasu; Geng, Li; Barbakadze, Vakhtang; Chankvetadze, Bezhan; Nakano, Tamaki |
| Journal of publication | Polym. Chem. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 11 |
| Pages of publication | 1932 |
| a | 9.6559 ± 0.0003 Å |
| b | 9.9869 ± 0.0003 Å |
| c | 18.8822 ± 0.0005 Å |
| α | 84.288 ± 0.006° |
| β | 81.394 ± 0.006° |
| γ | 73.131 ± 0.005° |
| Cell volume | 1719.86 ± 0.1 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0522 |
| Weighted residual factors for all reflections included in the refinement | 0.1585 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| 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. |
1518550.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. |
1518550.cif |
| 133568 | 2015-03-06 | cif/ Updating files of 1518549, 1518550 Original log message: Adding full bibliography for 1518549--1518550.cif. |
1518550.cif |
| 129714 | 2015-01-17 | cif/ Adding structures of 1518549, 1518550 via cif-deposit CGI script. |
1518550.cif |
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Users of the data should acknowledge the original authors of the
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