Information card for entry 1567394
Formula |
C21 H16 O2 S |
Calculated formula |
C21 H16 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 |
8.7021 ± 0.0002 Å |
b |
10.4858 ± 0.0002 Å |
c |
18.6175 ± 0.0004 Å |
α |
90° |
β |
94.841 ± 0.002° |
γ |
90° |
Cell volume |
1692.76 ± 0.06 Å3 |
Cell temperature |
170.01 ± 0.1 K |
Ambient diffraction temperature |
170.01 ± 0.1 K |
Number of distinct elements |
4 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/n 1 |
Hall space group symbol |
-P 2yn |
Residual factor for all reflections |
0.0385 |
Residual factor for significantly intense reflections |
0.0353 |
Weighted residual factors for significantly intense reflections |
0.0988 |
Weighted residual factors for all reflections included in the refinement |
0.1009 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.043 |
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/1567394.html