Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7160590
Preview
| Coordinates | 7160590.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H18 N2 O3 |
|---|---|
| Calculated formula | C16 H18 N2 O3 |
| Title of publication | Harnessing the reactivity of captodative radicals: photocatalytic α-pyridination of glycyl derivatives through reversible radical coupling |
| Authors of publication | Yamazaki, Ken; Akimoto, Shuta; Miura, Tomoya |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 7.4927 ± 0.0006 Å |
| b | 18.0971 ± 0.0012 Å |
| c | 11.2308 ± 0.0009 Å |
| α | 90° |
| β | 103.978 ± 0.007° |
| γ | 90° |
| Cell volume | 1477.8 ± 0.2 Å3 |
| Cell temperature | 180.15 K |
| Ambient diffraction temperature | 180.15 K |
| Number of distinct elements | 4 |
| 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 | 0.0866 |
| Residual factor for significantly intense reflections | 0.061 |
| Weighted residual factors for significantly intense reflections | 0.1629 |
| Weighted residual factors for all reflections included in the refinement | 0.1765 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300046 (current) | 2025-06-11 | cif/ Adding structures of 7160589, 7160590 via cif-deposit CGI script. |
7160590.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.