Information card for entry 1555455
| Formula |
C31 H23 Cl2 N O4 S |
| Calculated formula |
C31 H23 Cl2 N O4 S |
| SMILES |
Clc1ccc(C2=C3C(C(=O)N(S(=O)(=O)c4ccc(Cl)cc4)c4c3cccc4)(Cc3cc(OC)ccc23)C)cc1 |
| Title of publication |
Catalytic Arylsulfonyl Radical Triggered 1,7-Enyne Bicyclizations. |
| Authors of publication |
Zhu, Yi-Long; Jiang, Bo; Hao, Wen-Juan; Qiu, Jiang-Kai; Sun, Jun; Wang, De-Cai; Wei, Ping; Wang, Ai-Fang; Li, Guigen; Tu, Shu-Jiang |
| Journal of publication |
Organic letters |
| Year of publication |
2015 |
| Journal volume |
17 |
| Journal issue |
24 |
| Pages of publication |
6078 - 6081 |
| a |
9.8014 ± 0.0013 Å |
| b |
12.1207 ± 0.0015 Å |
| c |
13.323 ± 0.003 Å |
| α |
99.552 ± 0.015° |
| β |
106.402 ± 0.016° |
| γ |
111.742 ± 0.012° |
| Cell volume |
1343.8 ± 0.5 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 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 |
0.1619 |
| Residual factor for significantly intense reflections |
0.0891 |
| Weighted residual factors for significantly intense reflections |
0.2108 |
| Weighted residual factors for all reflections included in the refinement |
0.264 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.048 |
| 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/1555455.html
