Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4038697
Preview
| Coordinates | 4038697.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H23 N O2 Se |
|---|---|
| Calculated formula | C21 H23 N O2 Se |
| Title of publication | Silver-Catalyzed Remote C5-H Selenylation of Indoles. |
| Authors of publication | Song, Wei-Hong; Shi, Jia; Chen, Xiaohong; Song, Guoyong |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 12.0693 ± 0.0008 Å |
| b | 10.9616 ± 0.0008 Å |
| c | 29.0524 ± 0.0019 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3843.6 ± 0.5 Å3 |
| Cell temperature | 146 ± 2 K |
| Ambient diffraction temperature | 146 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0677 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for significantly intense reflections | 0.082 |
| Weighted residual factors for all reflections included in the refinement | 0.0911 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255330 (current) | 2020-08-15 | cif/ Adding structures of 4038697 via cif-deposit CGI script. |
4038697.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.