Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7237559
Preview
| Coordinates | 7237559.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H32 F10 O6 |
|---|---|
| Calculated formula | C46 H32 F10 O6 |
| Title of publication | Programmed twisting of phenylene‒ethynylene linkages from aromatic stacking interactions |
| Authors of publication | Mullin, William J.; Pawle, Robert H.; Sharber, Seth A.; Müller, Peter; Thomas, Samuel W. |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2019 |
| Journal volume | 7 |
| Journal issue | 5 |
| Pages of publication | 1198 |
| a | 13.2155 ± 0.001 Å |
| b | 9.1259 ± 0.0007 Å |
| c | 15.7624 ± 0.0012 Å |
| α | 90° |
| β | 90.357 ± 0.003° |
| γ | 90° |
| Cell volume | 1901 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.049 |
| Residual factor for significantly intense reflections | 0.0412 |
| Weighted residual factors for significantly intense reflections | 0.1105 |
| Weighted residual factors for all reflections included in the refinement | 0.1174 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237768 (current) | 2019-11-24 | cif/ Adding structures of 7237551, 7237552, 7237553, 7237554, 7237555, 7237556, 7237557, 7237558, 7237559 via cif-deposit CGI script. |
7237559.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.