Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7134522
Preview
| Coordinates | 7134522.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1 |
|---|---|
| Formula | C22 H28 N2 O5 S |
| Calculated formula | C22 H28 N2 O5 S |
| Title of publication | Dearomatizative Aminoetherification and Diamination of Indoles Enabled by Photochemical Nitrene Transfer Reactions |
| Authors of publication | Zhang, Li-Hua; Xie, Yang; Xuan, Jun |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 10.0397 ± 0.0003 Å |
| b | 10.2947 ± 0.0002 Å |
| c | 11.3136 ± 0.0004 Å |
| α | 84.709 ± 0.002° |
| β | 76.197 ± 0.003° |
| γ | 89.722 ± 0.002° |
| Cell volume | 1130.54 ± 0.06 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0539 |
| Residual factor for significantly intense reflections | 0.0499 |
| Weighted residual factors for significantly intense reflections | 0.1418 |
| Weighted residual factors for all reflections included in the refinement | 0.1459 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299578 (current) | 2025-05-09 | cif/ Adding structures of 7134522 via cif-deposit CGI script. |
7134522.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.