Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7128133
Preview
| Coordinates | 7128133.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H18 O S2 |
|---|---|
| Calculated formula | C21 H18 O S2 |
| Title of publication | Enantioselective nickel-catalyzed <i>anti</i>-arylmetallative cyclizations onto acyclic electron-deficient alkenes. |
| Authors of publication | Gillbard, Simone M.; Green, Harley; Argent, Stephen P.; Lam, Hon Wai |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2021 |
| Journal volume | 57 |
| Journal issue | 36 |
| Pages of publication | 4436 - 4439 |
| a | 7.4283 ± 0.0001 Å |
| b | 6.9661 ± 0.0001 Å |
| c | 16.5307 ± 0.0002 Å |
| α | 90° |
| β | 93.4 ± 0.001° |
| γ | 90° |
| Cell volume | 853.9 ± 0.02 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0235 |
| Residual factor for significantly intense reflections | 0.0233 |
| Weighted residual factors for significantly intense reflections | 0.0635 |
| Weighted residual factors for all reflections included in the refinement | 0.0636 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7128133.cif |
| 265888 | 2021-06-05 | cif/ Updating files of 7128130, 7128131, 7128132, 7128133 Original log message: Adding full bibliography for 7128130--7128133.cif. |
7128133.cif |
| 263923 | 2021-04-07 | cif/ Adding structures of 7128130, 7128131, 7128132, 7128133 via cif-deposit CGI script. |
7128133.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.