Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7160640
Preview
| Coordinates | 7160640.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H17 N5 |
|---|---|
| Calculated formula | C22 H17 N5 |
| Title of publication | N2-selective cross-couplings of tetrazoles with indoles |
| Authors of publication | Zhang, Hui; Tian, Lifang; Li, Qinying; Zheng, Hanwen; Dai, Yuting; Li, Jia-Wei; Liu, Guang-Lu; Zhu, Li-Li; Wang, Yahui |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 5.523 ± 0.0002 Å |
| b | 9.1066 ± 0.0004 Å |
| c | 9.1781 ± 0.0004 Å |
| α | 105.551 ± 0.004° |
| β | 94.197 ± 0.004° |
| γ | 100.884 ± 0.004° |
| Cell volume | 432.96 ± 0.03 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 K |
| Number of distinct elements | 3 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0294 |
| Residual factor for significantly intense reflections | 0.0291 |
| Weighted residual factors for significantly intense reflections | 0.075 |
| Weighted residual factors for all reflections included in the refinement | 0.0753 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| 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 |
|---|---|---|---|
| 301276 (current) | 2025-07-17 | cif/ Adding structures of 7160640 via cif-deposit CGI script. |
7160640.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.