Information card for entry 7158794
Formula |
C19 H19 N O4 S |
Calculated formula |
C19 H19 N O4 S |
Title of publication |
Cyclization/hydrolysis of 1,5-enenitriles initiated by sulfonyl radicals in the aqueous phase in the presence of the I2/TBHP system |
Authors of publication |
Hu, Sen-Jie; Jiang, Li-Lin; Qiu, Hui; Luo, Chun-Mei; Guan, Yu-Tao; Li, Long; Dong, Youren; Lei, Ke-Wei; Wei, Wen-Ting |
Journal of publication |
Organic & Biomolecular Chemistry |
Year of publication |
2022 |
a |
14.0585 ± 0.0009 Å |
b |
6.5274 ± 0.0003 Å |
c |
19.2202 ± 0.0011 Å |
α |
90° |
β |
106.051 ± 0.002° |
γ |
90° |
Cell volume |
1694.99 ± 0.17 Å3 |
Cell temperature |
150 K |
Ambient diffraction temperature |
150 K |
Number of distinct elements |
5 |
Space group number |
9 |
Hermann-Mauguin space group symbol |
C 1 c 1 |
Hall space group symbol |
C -2yc |
Residual factor for all reflections |
0.0532 |
Residual factor for significantly intense reflections |
0.0406 |
Weighted residual factors for significantly intense reflections |
0.0846 |
Weighted residual factors for all reflections included in the refinement |
0.0951 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.079 |
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/7158794.html