Information card for entry 1567396
| Formula |
C16 H14 O2 S |
| Calculated formula |
C16 H14 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 |
8.2022 ± 0.0008 Å |
| b |
10.5431 ± 0.0009 Å |
| c |
18.8492 ± 0.0016 Å |
| α |
75.696 ± 0.002° |
| β |
88.8 ± 0.003° |
| γ |
67.516 ± 0.001° |
| Cell volume |
1454.5 ± 0.2 Å3 |
| Cell temperature |
298 ± 2 K |
| Ambient diffraction temperature |
298 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.084 |
| Residual factor for significantly intense reflections |
0.0539 |
| Weighted residual factors for significantly intense reflections |
0.1271 |
| Weighted residual factors for all reflections included in the refinement |
0.139 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.03 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/1567396.html
