Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7160911
Preview
| Coordinates | 7160911.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H26 N4 Se |
|---|---|
| Calculated formula | C25 H26 N4 Se |
| Title of publication | Regioselective β-organoseleno/α-,N2-tetrazole addition to alkenes |
| Authors of publication | Zhu, Li-Li; Tian, Lifang; Zhang, Zijian; Li, Qinying; Tian, Yingying; Han, Xiaofeng; Li, Jiawei; Liu, Guang-Lu; Zhang, Hui; Wang, Yahui |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 10.8056 ± 0.0001 Å |
| b | 9.2147 ± 0.0001 Å |
| c | 23.0221 ± 0.0003 Å |
| α | 90° |
| β | 102.849 ± 0.001° |
| γ | 90° |
| Cell volume | 2234.92 ± 0.04 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 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 | 0.0321 |
| Residual factor for significantly intense reflections | 0.0317 |
| Weighted residual factors for significantly intense reflections | 0.0841 |
| Weighted residual factors for all reflections included in the refinement | 0.0843 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 304012 (current) | 2025-12-03 | cif/ Adding structures of 7160911 via cif-deposit CGI script. |
7160911.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.