Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1568075
Preview
Coordinates | 1568075.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H32 F16 O2 S8 |
---|---|
Calculated formula | C48 H16 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 | 13.6071 ± 0.0003 Å |
b | 14.6029 ± 0.0003 Å |
c | 15.3344 ± 0.0003 Å |
α | 97.914 ± 0.002° |
β | 98.988 ± 0.002° |
γ | 110.147 ± 0.002° |
Cell volume | 2764.52 ± 0.11 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 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 | 0.1338 |
Residual factor for significantly intense reflections | 0.1245 |
Weighted residual factors for significantly intense reflections | 0.3507 |
Weighted residual factors for all reflections included in the refinement | 0.3658 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.633 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1568075.html
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.