Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7248382
Preview
| Coordinates | 7248382.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H20 Cl F2 N O5 S |
|---|---|
| Calculated formula | C26 H20 Cl F2 N O5 S |
| Title of publication | Photocatalyst-free H2O-regulated and regiodivergent multicomponent hydrogenation/bifunctional sulfonylation of alkynes |
| Authors of publication | Sun, Jie; Wang, Chaodong; Wu, Chunlei; Wang, Wenjian; Zeng, Yue; Song, Shengjie; Chen, Zhiwei; Li, Jianjun |
| Journal of publication | Green Chemistry |
| Year of publication | 2024 |
| Journal volume | 26 |
| Journal issue | 6 |
| Pages of publication | 3301 - 3307 |
| a | 6.3919 ± 0.0004 Å |
| b | 10.6731 ± 0.0006 Å |
| c | 18.7577 ± 0.0011 Å |
| α | 73.689 ± 0.002° |
| β | 87.428 ± 0.002° |
| γ | 75.023 ± 0.002° |
| Cell volume | 1185.92 ± 0.12 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 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 | 0.0859 |
| Residual factor for significantly intense reflections | 0.0798 |
| Weighted residual factors for significantly intense reflections | 0.219 |
| Weighted residual factors for all reflections included in the refinement | 0.2236 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.125 |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 290785 (current) | 2024-04-04 | cif/ Adding structures of 7248381, 7248382 via cif-deposit CGI script. |
7248382.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.