Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1546779
Preview
| Coordinates | 1546779.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H37 F O5 |
|---|---|
| Calculated formula | C25 H37 F O5 |
| Title of publication | Ketones as Directing Groups in Photocatalytic sp3 C-H Fluorination |
| Authors of publication | Bume, Desta Doro; Pitts, Cody Ross; Ghorbani, Fereshte; Harry, Stefan Andrew; Capilato, Joseph N.; Siegler, Maxime A.; Lectka, Thomas |
| Journal of publication | Chem. Sci. |
| Year of publication | 2017 |
| a | 6.6282 ± 0.00013 Å |
| b | 12.7871 ± 0.0002 Å |
| c | 29.3443 ± 0.0005 Å |
| α | 81.5019 ± 0.0014° |
| β | 84.6748 ± 0.0015° |
| γ | 75.0869 ± 0.0016° |
| Cell volume | 2373.02 ± 0.07 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0396 |
| Residual factor for significantly intense reflections | 0.0375 |
| Weighted residual factors for significantly intense reflections | 0.1066 |
| Weighted residual factors for all reflections included in the refinement | 0.1087 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199723 (current) | 2017-08-12 | cif/ Adding structures of 1546779, 1546780, 1546781 via cif-deposit CGI script. |
1546779.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.