Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1559175
Preview
| Coordinates | 1559175.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 2-Hcation |
|---|---|
| Formula | C32 H41 B Cl2 F4 N4 O2 |
| Calculated formula | C32 H41 B Cl2 F4 N4 O2 |
| Title of publication | Persistent, highly localized, and tunable [4]helicene radicals |
| Authors of publication | Shaikh, Aslam C.; Moutet, Jules; Veleta, José M.; Hossain, Md Mubarak; Bloch, Jan; Astashkin, Andrei V.; Gianetti, Thomas L. |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 11.511 ± 0.0003 Å |
| b | 12.4254 ± 0.0003 Å |
| c | 13.1831 ± 0.0003 Å |
| α | 85.106 ± 0.0018° |
| β | 78.778 ± 0.002° |
| γ | 64.945 ± 0.003° |
| Cell volume | 1675.47 ± 0.08 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0507 |
| Residual factor for significantly intense reflections | 0.0459 |
| Weighted residual factors for significantly intense reflections | 0.1033 |
| Weighted residual factors for all reflections included in the refinement | 0.106 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0699 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256692 (current) | 2020-09-24 | cif/ Adding structures of 1559172, 1559173, 1559174, 1559175 via cif-deposit CGI script. |
1559175.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.