Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7125116
Preview
| Coordinates | 7125116.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H8 F2 O S |
|---|---|
| Calculated formula | C12 H8 F2 O S |
| Title of publication | S(vi) Lewis acids: fluorosulfoxonium cations. |
| Authors of publication | Tsao, Fu An; Waked, Alexander E.; Cao, Levy; Hofmann, Jordan; Liu, Lei; Grimme, Stefan; Stephan, Douglas W. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 84 |
| Pages of publication | 12418 - 12421 |
| a | 6.924 ± 0.005 Å |
| b | 8.665 ± 0.006 Å |
| c | 8.772 ± 0.007 Å |
| α | 108.778 ± 0.018° |
| β | 94.634 ± 0.017° |
| γ | 90.55 ± 0.016° |
| Cell volume | 496.3 ± 0.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 149.98 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 | 0.1709 |
| Residual factor for significantly intense reflections | 0.1174 |
| Weighted residual factors for significantly intense reflections | 0.2783 |
| Weighted residual factors for all reflections included in the refinement | 0.3149 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1245 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 234530 (current) | 2019-11-23 | cif/ Adding structures of 7125116, 7125117, 7125118, 7125119, 7125120 via cif-deposit CGI script. |
7125116.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.