Information card for entry 4034429
| Formula |
C19 H19 N O6 S |
| Calculated formula |
C19 H19 N O6 S |
| SMILES |
S(=O)(=O)(N1[C@H]2[C@H]3O[C@@H]([C@@H]12)c1c3c(OC)ccc1OC)c1ccc(OC)cc1 |
| Title of publication |
Three-Component Cycloaddition To Synthesize Aziridines and 1,2,3-Triazolines. |
| Authors of publication |
Chen, Shuqi; Yao, Yongqi; Yang, Wen; Lin, Qifu; Wang, Lin; Li, Huanyong; Chen, Donghan; Tan, Yun; Yang, Dingqiao |
| Journal of publication |
The Journal of organic chemistry |
| Year of publication |
2019 |
| Journal volume |
84 |
| Journal issue |
18 |
| Pages of publication |
11863 - 11872 |
| a |
9.2602 ± 0.0009 Å |
| b |
9.6004 ± 0.0009 Å |
| c |
11.0248 ± 0.0008 Å |
| α |
67.889 ± 0.008° |
| β |
81.813 ± 0.008° |
| γ |
89.11 ± 0.008° |
| Cell volume |
898.01 ± 0.15 Å3 |
| Cell temperature |
293 K |
| Ambient diffraction temperature |
293 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 |
0.0739 |
| Residual factor for significantly intense reflections |
0.0519 |
| Weighted residual factors for significantly intense reflections |
0.1177 |
| Weighted residual factors for all reflections included in the refinement |
0.1378 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.0707 |
| 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/4034429.html
