Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7250391
Preview
| Coordinates | 7250391.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H21 N3 |
|---|---|
| Calculated formula | C20 H21 N3 |
| Title of publication | Visible-Light-Induced Selenium-Mediated Cascade Cyclization of 2-Isocyanobenzonitriles with Secondary Amines to Access Indole-Fused Polycyclics |
| Authors of publication | Xu, Dongping; Jin, Lizhen; Huang, Meng-Ya; Zhang, Wu |
| Journal of publication | Green Chemistry |
| Year of publication | 2025 |
| a | 9.3995 ± 0.0013 Å |
| b | 11.6864 ± 0.0012 Å |
| c | 15.4113 ± 0.0013 Å |
| α | 90° |
| β | 95.098 ± 0.001° |
| γ | 90° |
| Cell volume | 1686.2 ± 0.3 Å3 |
| Cell temperature | 293.15 K |
| Ambient diffraction temperature | 293.15 K |
| Number of distinct elements | 3 |
| 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 | 0.0847 |
| Residual factor for significantly intense reflections | 0.0509 |
| Weighted residual factors for significantly intense reflections | 0.127 |
| Weighted residual factors for all reflections included in the refinement | 0.1451 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299640 (current) | 2025-05-14 | cif/ Adding structures of 7250388, 7250389, 7250390, 7250391 via cif-deposit CGI script. |
7250391.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.