Information card for entry 7119905
| Formula |
C24 H18 Cl N O2 S |
| Calculated formula |
C24 H18 Cl N O2 S |
| SMILES |
Clc1cc2c3n(c(c4ccccc4)c2C(=O)OCC)c2cc(ccc2sc3c1)C |
| Title of publication |
One-pot synthesis of thiazino[2,3,4-hi]indole derivatives through a tandem oxidative coupling/heteroannulation process. |
| Authors of publication |
Mao, Xi; Tong, Tao; Fan, Senbao; Fang, Liting; Wu, Jingyi; Wang, Xiaoxia; Kang, Honglan; Lv, Xin |
| Journal of publication |
Chemical communications (Cambridge, England) |
| Year of publication |
2017 |
| Journal volume |
53 |
| Journal issue |
34 |
| Pages of publication |
4718 - 4721 |
| a |
9.5389 ± 0.0003 Å |
| b |
10.7066 ± 0.0003 Å |
| c |
11.237 ± 0.0003 Å |
| α |
66.541 ± 0.001° |
| β |
73.749 ± 0.002° |
| γ |
85.725 ± 0.002° |
| Cell volume |
1009.82 ± 0.05 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 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 significantly intense reflections |
0.0577 |
| Weighted residual factors for significantly intense reflections |
0.1375 |
| Weighted residual factors for all reflections included in the refinement |
0.1567 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.055 |
| 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/7119905.html
