Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4132178
Preview
| Coordinates | 4132178.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H12.5 F N O4.25 S |
|---|---|
| Calculated formula | C11 H12.5 F N O4.25 S |
| Title of publication | Catalytic Diastereo- and Enantioselective Fluoroamination of Alkenes. |
| Authors of publication | Mennie, Katrina M.; Banik, Steven M.; Reichert, Elaine C.; Jacobsen, Eric N. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 14 |
| Pages of publication | 4797 - 4802 |
| a | 17.8047 ± 0.0004 Å |
| b | 17.8047 ± 0.0004 Å |
| c | 6.9972 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1920.99 ± 0.08 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 171 |
| Hermann-Mauguin space group symbol | P 62 |
| Hall space group symbol | P 62 |
| Residual factor for all reflections | 0.0341 |
| Residual factor for significantly intense reflections | 0.0333 |
| Weighted residual factors for significantly intense reflections | 0.0898 |
| Weighted residual factors for all reflections included in the refinement | 0.0904 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242206 (current) | 2019-11-26 | cif/ Adding structures of 4132178 via cif-deposit CGI script. |
4132178.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.