Information card for entry 1567700
Formula |
C16 H18 O4 S |
Calculated formula |
C16 H18 O4 S |
Title of publication |
Alkoxysulfonyl Radical Species: Acquisition and Transformation towards Sulfonate Esters through Electrochemistry |
Authors of publication |
Zhang, Chun; Yang, Man; Qiu, Yanjie; Song, Meijun; Wang, Hongyan; Yang, Min; Xie, Wenlin; Wu, Jie; Ye, Shengqing |
Journal of publication |
Chemical Science |
Year of publication |
2022 |
a |
9.1786 ± 0.0003 Å |
b |
18.5224 ± 0.0007 Å |
c |
9.2041 ± 0.0003 Å |
α |
90° |
β |
107.616 ± 0.001° |
γ |
90° |
Cell volume |
1491.41 ± 0.09 Å3 |
Cell temperature |
100 K |
Ambient diffraction temperature |
100 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 |
0.0472 |
Residual factor for significantly intense reflections |
0.0349 |
Weighted residual factors for significantly intense reflections |
0.0831 |
Weighted residual factors for all reflections included in the refinement |
0.0894 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.026 |
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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https://www.crystallography.net/1567700.html