Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1568076
Preview
| Coordinates | 1568076.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H32 F16 S8 |
|---|---|
| Calculated formula | C56 H32 F16 S8 |
| Title of publication | Catalysis enabled synthesis, structures, and reactivities of fluorinated S<sub>8</sub>-corona[<i>n</i>]arenes (<i>n</i> = 8-12). |
| Authors of publication | Turley, Andrew T.; Hanson-Heine, Magnus W D; Argent, Stephen P.; Hu, Yaoyang; Jones, Thomas A.; Fay, Michael; Woodward, Simon |
| Journal of publication | Chemical science |
| Year of publication | 2022 |
| Journal volume | 14 |
| Journal issue | 1 |
| Pages of publication | 70 - 77 |
| a | 9.5286 ± 0.0002 Å |
| b | 10.3554 ± 0.0002 Å |
| c | 14.25 ± 0.0004 Å |
| α | 75.54 ± 0.002° |
| β | 89.177 ± 0.002° |
| γ | 73.34 ± 0.002° |
| Cell volume | 1301.9 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0801 |
| Residual factor for significantly intense reflections | 0.0486 |
| Weighted residual factors for significantly intense reflections | 0.1263 |
| Weighted residual factors for all reflections included in the refinement | 0.137 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.6889 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281335 (current) | 2023-03-04 | cif/ Updating files of 1568074, 1568075, 1568076, 1568077, 1568078, 1568079 Original log message: Adding full bibliography for 1568074--1568079.cif. |
1568076.cif |
| 279807 | 2022-12-09 | cif/ Adding structures of 1568074, 1568075, 1568076, 1568077, 1568078, 1568079 via cif-deposit CGI script. |
1568076.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.