Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7160837
Preview
| Coordinates | 7160837.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H23 N O S |
|---|---|
| Calculated formula | C23 H23 N O S |
| Title of publication | Synthesis of S-Allylic Sulfinamides by the Catalytic Nucleophilic Allylation of N-Sulfinylamines |
| Authors of publication | Fanai-Danesh, Shamim; Moseley, Daniel F.; Foote, Kevin M.; Jones, Kieran D.; Argent, Stephen; Lam, Hon Wai |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 14.218 ± 0.0001 Å |
| b | 18.7508 ± 0.0001 Å |
| c | 28.9297 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7712.63 ± 0.09 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0324 |
| Residual factor for significantly intense reflections | 0.0311 |
| Weighted residual factors for significantly intense reflections | 0.0831 |
| Weighted residual factors for all reflections included in the refinement | 0.0841 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| 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 |
|---|---|---|---|
| 303104 (current) | 2025-10-30 | cif/ Adding structures of 7160837 via cif-deposit CGI script. |
7160837.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.