Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1574158
Preview
| Coordinates | 1574158.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H12 Br F2 N O S |
|---|---|
| Calculated formula | C12 H12 Br F2 N O S |
| Title of publication | Radical Photochemical Difluorosulfoximination of Alkenes and Propellanes |
| Authors of publication | Baldon, Simone; Dell'Amico, Luca; Paut, Julien; Anselmi, Elsa; Dagousset, Guillaume; Tuccio, Beatrice; Pelosi, Giorgio; Cuadros, Sara; Magnier, Emmanuel |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 9.5072 ± 0.0006 Å |
| b | 11.2492 ± 0.0007 Å |
| c | 13.1335 ± 0.0009 Å |
| α | 92.018 ± 0.003° |
| β | 92.253 ± 0.003° |
| γ | 106.884 ± 0.003° |
| Cell volume | 1341.42 ± 0.15 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 7 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0623 |
| Residual factor for significantly intense reflections | 0.059 |
| Weighted residual factors for significantly intense reflections | 0.1699 |
| Weighted residual factors for all reflections included in the refinement | 0.1753 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298449 (current) | 2025-03-15 | cif/ Adding structures of 1574158 via cif-deposit CGI script. |
1574158.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.