Information card for entry 1572240
| Formula |
C22 H13 Br O S |
| Calculated formula |
C22 H13 Br O S |
| Title of publication |
Catalytic asymmetric functionalization and dearomatization of thiophenes. |
| Authors of publication |
Zhao, Zhengxing; Li, Yingxin; Jia, Shiqi; Peng, Lei; Zhang, Zian; Wu, Fengdi; Wang, Pengfei; Qin, Wenling; Lan, Yu; Yan, Hailong |
| Journal of publication |
Chemical science |
| Year of publication |
2024 |
| Journal volume |
15 |
| Journal issue |
35 |
| Pages of publication |
14295 - 14303 |
| a |
9.0211 ± 0.0004 Å |
| b |
8.9321 ± 0.0003 Å |
| c |
11.4528 ± 0.0006 Å |
| α |
90° |
| β |
113.132 ± 0.006° |
| γ |
90° |
| Cell volume |
848.64 ± 0.08 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
4 |
| Hermann-Mauguin space group symbol |
P 1 21 1 |
| Hall space group symbol |
P 2yb |
| Residual factor for all reflections |
0.0431 |
| Residual factor for significantly intense reflections |
0.0347 |
| Weighted residual factors for significantly intense reflections |
0.0781 |
| Weighted residual factors for all reflections included in the refinement |
0.0834 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.077 |
| Diffraction radiation probe |
x-ray |
| 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/1572240.html
