Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7160730
Preview
| Coordinates | 7160730.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H15 N O2 S |
|---|---|
| Calculated formula | C19 H15 N O2 S |
| Title of publication | Tunable Regiodivergent C–H Alkenylation of 2-Arylthiazoles via Catalyst Control |
| Authors of publication | Wan, Guibin; Wang, Cheng; Zhou, Pengfei; Tang, Yi; Xu, Dingyi; Liang, Taoyuan; Wei, Zongwu; Zhang, Zhuan |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 14.5392 ± 0.0014 Å |
| b | 5.8693 ± 0.0006 Å |
| c | 18.7308 ± 0.0016 Å |
| α | 90° |
| β | 92.041 ± 0.009° |
| γ | 90° |
| Cell volume | 1597.4 ± 0.3 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 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 | 0.1365 |
| Residual factor for significantly intense reflections | 0.0669 |
| Weighted residual factors for significantly intense reflections | 0.0959 |
| Weighted residual factors for all reflections included in the refinement | 0.117 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302122 (current) | 2025-09-12 | cif/ Adding structures of 7160730 via cif-deposit CGI script. |
7160730.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.