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Information card for entry 1559811
Preview
| Coordinates | 1559811.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C17 H19 F6 N2 O P |
|---|---|
| Calculated formula | C17 H19 F6 N2 O P |
| SMILES | O=C(NCCC[n+]1ccc(cc1)c1ccccc1)C=C.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Supramolecular hydrogels prepared from fluorescent alkyl pyridinium acrylamide monomers and CB[8] |
| Authors of publication | Whitaker, Daniel J.; Huang, Zehuan; Longbottom, Brooke W.; Sala, Renata L.; Wu, Guanglu; Scherman, Oren A. |
| Journal of publication | Polymer Chemistry |
| Year of publication | 2021 |
| Journal volume | 12 |
| Journal issue | 4 |
| Pages of publication | 519 - 525 |
| a | 25.6008 ± 0.0009 Å |
| b | 7.0486 ± 0.0002 Å |
| c | 21.7397 ± 0.0007 Å |
| α | 90° |
| β | 114.951 ± 0.001° |
| γ | 90° |
| Cell volume | 3556.8 ± 0.2 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0667 |
| Residual factor for significantly intense reflections | 0.057 |
| Weighted residual factors for significantly intense reflections | 0.1477 |
| Weighted residual factors for all reflections included in the refinement | 0.1554 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
1559811.cif |
| 261769 | 2021-02-05 | cif/ Updating files of 1559811 Original log message: Adding full bibliography for 1559811.cif. |
1559811.cif |
| 260009 | 2020-12-19 | cif/ Adding structures of 1559811 via cif-deposit CGI script. |
1559811.cif |
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Users of the data should acknowledge the original authors of the
structural data.