Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1559063
Preview
| Coordinates | 1559063.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H30 Br S Sb |
|---|---|
| Calculated formula | C33 H30 Br S Sb |
| SMILES | [Sb](Br)(c1ccccc1Sc1ccccc1)(c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(C)cc1 |
| Title of publication | Redox-controlled chalcogen and pnictogen bonding: the case of a sulfonium/stibonium dication as a preanionophore for chloride anion transport |
| Authors of publication | Park, Gyeongjin; Gabbaï, François P. |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 16.7041 ± 0.0012 Å |
| b | 10.2829 ± 0.0007 Å |
| c | 17.9121 ± 0.0013 Å |
| α | 90° |
| β | 107.86 ± 0.002° |
| γ | 90° |
| Cell volume | 2928.4 ± 0.4 Å3 |
| Cell temperature | 110 K |
| Ambient diffraction temperature | 110 K |
| Number of distinct elements | 5 |
| 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 | 0.0698 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.1124 |
| Weighted residual factors for all reflections included in the refinement | 0.1207 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.16 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256334 (current) | 2020-09-11 | cif/ Adding structures of 1559061, 1559062, 1559063, 1559064, 1559065 via cif-deposit CGI script. |
1559063.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.