Information card for entry 7231961
| Formula |
C22 H17 N3 O3 S |
| Calculated formula |
C22 H17 N3 O3 S |
| Title of publication |
Pd-catalyzed [3 + 2] cycloaddition of vinylcyclopropanes with 1-azadienes: synthesis of 4-cyclopentylbenzo[e][1,2,3]oxathiazine 2,2-dioxides |
| Authors of publication |
Lin, Yan; Wang, Qijun; Wu, Yang; Wang, Chang; Jia, Hao; Zhang, Cheng; Huang, Jiaxing; Guo, Hongchao |
| Journal of publication |
RSC Advances |
| Year of publication |
2018 |
| Journal volume |
8 |
| Journal issue |
71 |
| Pages of publication |
40798 |
| a |
8.2461 ± 0.0016 Å |
| b |
10.3 ± 0.002 Å |
| c |
12.879 ± 0.003 Å |
| α |
104.17 ± 0.03° |
| β |
99.94 ± 0.03° |
| γ |
105.52 ± 0.03° |
| Cell volume |
988.2 ± 0.5 Å3 |
| Cell temperature |
173 ± 2 K |
| Ambient diffraction temperature |
173 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0642 |
| Residual factor for significantly intense reflections |
0.0567 |
| Weighted residual factors for significantly intense reflections |
0.1206 |
| Weighted residual factors for all reflections included in the refinement |
0.1254 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.101 |
| 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/7231961.html
