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Information card for entry 1572721
Preview
| Coordinates | 1572721.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H22 N4 O3 S |
|---|---|
| Calculated formula | C18 H22 N4 O3 S |
| Title of publication | Simultaneous formation of helical and sheet-like assemblies from short azapeptides enables spontaneous resolution. |
| Authors of publication | Yan, Xiaosheng; Weng, Peimin; Cao, Jinlian; Lin, Kexin; Qi, Yuanwei; Wu, Xin; Jiang, Yun-Bao |
| Journal of publication | Nanoscale |
| Year of publication | 2024 |
| Journal volume | 16 |
| Journal issue | 41 |
| Pages of publication | 19221 - 19227 |
| a | 11.7516 ± 0.0002 Å |
| b | 8.5624 ± 0.0001 Å |
| c | 18.929 ± 0.0003 Å |
| α | 90° |
| β | 91.274 ± 0.001° |
| γ | 90° |
| Cell volume | 1904.2 ± 0.05 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0407 |
| Residual factor for significantly intense reflections | 0.0381 |
| Weighted residual factors for significantly intense reflections | 0.1019 |
| Weighted residual factors for all reflections included in the refinement | 0.1046 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296616 (current) | 2024-12-06 | cif/ Updating files of 1572720, 1572721, 1572722, 1572723, 1572724 Original log message: Adding full bibliography for 1572720--1572724.cif. |
1572721.cif |
| 294946 | 2024-10-01 | cif/ Adding structures of 1572720, 1572721, 1572722, 1572723, 1572724 via cif-deposit CGI script. |
1572721.cif |
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Users of the data should acknowledge the original authors of the
structural data.