Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7159877
Preview
| Coordinates | 7159877.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H36 N2 O2 S2 |
|---|---|
| Calculated formula | C28 H36 N2 O2 S2 |
| Title of publication | Reductive dimerization of benzothiazolium salts. |
| Authors of publication | Shaikh, Aijaz; Sahoo, Satyajit; Marder, Seth R.; Barlow, Stephen; Mohapatra, Swagat K. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2024 |
| Journal volume | 22 |
| Journal issue | 10 |
| Pages of publication | 2115 - 2123 |
| a | 23.932 ± 0.007 Å |
| b | 9.723 ± 0.003 Å |
| c | 12.611 ± 0.004 Å |
| α | 90° |
| β | 113.816 ± 0.01° |
| γ | 90° |
| Cell volume | 2684.6 ± 1.4 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0847 |
| Residual factor for significantly intense reflections | 0.0488 |
| Weighted residual factors for significantly intense reflections | 0.1243 |
| Weighted residual factors for all reflections included in the refinement | 0.1584 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 290787 (current) | 2024-04-04 | cif/ Adding structures of 7159868, 7159869, 7159870, 7159871, 7159872, 7159873, 7159874, 7159875, 7159876, 7159877, 7159878 via cif-deposit CGI script. |
7159877.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.