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Information card for entry 1557360
Preview
| Coordinates | 1557360.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C8 H14 N2 O4 |
|---|---|
| Calculated formula | C8 H14 N2 O4 |
| SMILES | C(CN1C(=O)CN(CCO)C(=O)C1)O |
| Title of publication | Synthesis and mechanistic investigations of pH-responsive cationic poly(aminoester)s |
| Authors of publication | Blake, Timothy R.; Ho, Wilson C.; Turlington, Christopher R.; Zang, Xiaoyu; Huttner, Melanie A.; Wender, Paul A.; Waymouth, Robert M. |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 11 |
| Pages of publication | 2951 - 2966 |
| a | 5.6483 ± 0.0005 Å |
| b | 9.0345 ± 0.0007 Å |
| c | 9.1851 ± 0.0009 Å |
| α | 90° |
| β | 103.599 ± 0.004° |
| γ | 90° |
| Cell volume | 455.57 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0376 |
| Residual factor for significantly intense reflections | 0.0329 |
| Weighted residual factors for significantly intense reflections | 0.0896 |
| Weighted residual factors for all reflections included in the refinement | 0.0944 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| 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. |
1557360.cif |
| 257405 | 2020-10-06 | cif/ Updating files of 1557360 Original log message: Adding full bibliography for 1557360.cif. |
1557360.cif |
| 250249 | 2020-04-05 | cif/ Updating files of 1557360 Original log message: Adding full bibliography for 1557360.cif. |
1557360.cif |
| 248356 | 2020-02-21 | cif/ Adding structures of 1557360 via cif-deposit CGI script. |
1557360.cif |
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Users of the data should acknowledge the original authors of the
structural data.