Information card for entry 4036021
| Formula |
C26 H25 Cl3 N2 O7 S2 |
| Calculated formula |
C26 H25 Cl3 N2 O7 S2 |
| SMILES |
S1(=O)(=O)N2[C@@H](N(S(=O)(=O)c3ccc(cc3)C)C[C@H]2CC(=O)c2ccccc2)c2c(O1)c(OC)ccc2.ClC(Cl)Cl.S1(=O)(=O)N2[C@H](N(S(=O)(=O)c3ccc(cc3)C)C[C@@H]2CC(=O)c2ccccc2)c2c(O1)c(OC)ccc2.ClC(Cl)Cl |
| Title of publication |
Phosphine-Catalyzed [3+2] Annulation of β-Sulfonamido-Substituted Enones with Sulfamate-Derived Cyclic Imines. |
| Authors of publication |
Shi, Wangyu; Zhou, Leijie; Mao, Biming; Wang, Qijun; Wang, Chang; Zhang, Cheng; Li, Xuefeng; Xiao, Yumei; Guo, Hongchao |
| Journal of publication |
The Journal of organic chemistry |
| Year of publication |
2019 |
| Journal volume |
84 |
| Journal issue |
2 |
| Pages of publication |
679 - 686 |
| a |
9.846 ± 0.002 Å |
| b |
12.222 ± 0.002 Å |
| c |
13.29 ± 0.003 Å |
| α |
67.89 ± 0.03° |
| β |
69.42 ± 0.03° |
| γ |
84.54 ± 0.03° |
| Cell volume |
1385.9 ± 0.6 Å3 |
| Cell temperature |
173 ± 2 K |
| Ambient diffraction temperature |
173.15 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0743 |
| Residual factor for significantly intense reflections |
0.067 |
| Weighted residual factors for significantly intense reflections |
0.1558 |
| Weighted residual factors for all reflections included in the refinement |
0.1609 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.095 |
| 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/4036021.html
