Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7250419
Preview
| Coordinates | 7250419.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H12 N2 O |
|---|---|
| Calculated formula | C14 H12 N2 O |
| Title of publication | Switchable α-Alkenylation and α‑Alkylation of Nitriles via a Coupling of Multiple Electrochemical Methods |
| Authors of publication | Li, Kai; Li, Tong; Zhang, Yupu; Yang, Hao; Sun, Qi; Wang, Zhiyong |
| Journal of publication | Green Chemistry |
| Year of publication | 2025 |
| a | 9.0084 ± 0.0003 Å |
| b | 8.7513 ± 0.0002 Å |
| c | 15.7194 ± 0.0004 Å |
| α | 90° |
| β | 99.743 ± 0.003° |
| γ | 90° |
| Cell volume | 1221.37 ± 0.06 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0495 |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for significantly intense reflections | 0.0948 |
| Weighted residual factors for all reflections included in the refinement | 0.1025 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| 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 |
|---|---|---|---|
| 299754 (current) | 2025-05-21 | cif/ Adding structures of 7250419 via cif-deposit CGI script. |
7250419.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.