Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7129625
Preview
| Coordinates | 7129625.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H20 F3 N3 O2 S |
|---|---|
| Calculated formula | C30 H20 F3 N3 O2 S |
| Title of publication | Ni(II)-catalyzed C–H hydroarylation of diarylacetylenes with imidazolium salts |
| Authors of publication | Wang, Tianbao; Zheng, Xuesong; Zheng, Qinze; Zhou, Fulin; Wang, Linhua; Gao, Ge |
| Journal of publication | Chemical Communications |
| Year of publication | 2022 |
| a | 4.965 ± 0.003 Å |
| b | 14.177 ± 0.008 Å |
| c | 18.008 ± 0.011 Å |
| α | 108.736 ± 0.014° |
| β | 92.409 ± 0.013° |
| γ | 93.037 ± 0.014° |
| Cell volume | 1196.4 ± 1.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2783 |
| Residual factor for significantly intense reflections | 0.0937 |
| Weighted residual factors for significantly intense reflections | 0.1769 |
| Weighted residual factors for all reflections included in the refinement | 0.2594 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272255 (current) | 2022-01-27 | cif/ Adding structures of 7129624, 7129625 via cif-deposit CGI script. |
7129625.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.