Information card for entry 1567395
| Formula |
C25 H23 Cl O2 S |
| Calculated formula |
C25 H23 Cl O2 S |
| Title of publication |
Electrochemically-promoted synthesis of benzo[b]thiophene-1,1-dioxides via strained quaternary spirocyclization |
| Authors of publication |
Li, Rui-Tao; Yuan, Da-Fu; Ping, Meng-Qi; Zhu, Yu-Yi; Ni, Shao-Fei; Li, Ming; Wen, Li-Rong; Zhang, Lin-Bao |
| Journal of publication |
Chemical Science |
| Year of publication |
2022 |
| a |
9.2866 ± 0.0003 Å |
| b |
10.4269 ± 0.0003 Å |
| c |
11.1292 ± 0.0003 Å |
| α |
87.053 ± 0.002° |
| β |
81.996 ± 0.002° |
| γ |
86.1 ± 0.002° |
| Cell volume |
1063.72 ± 0.05 Å3 |
| Cell temperature |
170.01 ± 0.1 K |
| Ambient diffraction temperature |
170.01 ± 0.1 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0351 |
| Residual factor for significantly intense reflections |
0.0343 |
| Weighted residual factors for significantly intense reflections |
0.0962 |
| Weighted residual factors for all reflections included in the refinement |
0.0969 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.077 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/1567395.html
