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Information card for entry 1552477
Preview
| Coordinates | 1552477.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C51 H58 O14 |
|---|---|
| Calculated formula | C51 H58 O14 |
| SMILES | c1(c2cc(c(c1)Cc1cc(OC)c(cc1OC)Cc1c(OC)cc(Cc3c(OC)cc(Cc4c(OC)cc(C2)c(OC)c4)c(OC)c3)c(OC)c1)OCC(=O)OCC)OCC(=O)OCC |
| Title of publication | High compression strength single network hydrogels with pillar[5]arene junction points |
| Authors of publication | Xu, Xiaowen; Jerca, Florica Adriana; Van Hecke, Kristof; Jerca, Valentin Victor; Hoogenboom, Richard |
| Journal of publication | Materials Horizons |
| Year of publication | 2020 |
| Journal volume | 7 |
| Journal issue | 2 |
| Pages of publication | 566 - 573 |
| a | 9.6444 ± 0.0003 Å |
| b | 12.2441 ± 0.0003 Å |
| c | 19.4216 ± 0.0004 Å |
| α | 93.6475 ± 0.0017° |
| β | 99.9526 ± 0.0019° |
| γ | 92.348 ± 0.002° |
| Cell volume | 2251.2 ± 0.1 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 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 all reflections | 0.0516 |
| Residual factor for significantly intense reflections | 0.0433 |
| Weighted residual factors for significantly intense reflections | 0.1122 |
| Weighted residual factors for all reflections included in the refinement | 0.1197 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
1552477.cif |
| 258155 | 2020-10-06 | cif/ Updating files of 1552477 Original log message: Adding full bibliography for 1552477.cif. |
1552477.cif |
| 249059 | 2020-03-05 | cif/ Updating files of 1552477 Original log message: Adding full bibliography for 1552477.cif. |
1552477.cif |
| 219509 | 2019-10-25 | cif/ Adding structures of 1552477 via cif-deposit CGI script. |
1552477.cif |
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Users of the data should acknowledge the original authors of the
structural data.