Information card for entry 4036852
| Formula |
C24 H16 O S |
| Calculated formula |
C24 H16 O S |
| SMILES |
O=C1c2c(sc(c2c2c1cccc2)c1ccccc1)c1ccc(cc1)C |
| Title of publication |
Catalytic Sulfur-Enabled Dehydrobicyclization of 1,6-Enynes toward Arylated Indeno[1,2-c]thiophenes. |
| Authors of publication |
Wu, Ya-Nan; Fu, Rong; Wang, Nan-Nan; Hao, Wen-Juan; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo |
| Journal of publication |
The Journal of organic chemistry |
| Year of publication |
2016 |
| Journal volume |
81 |
| Journal issue |
11 |
| Pages of publication |
4762 - 4770 |
| a |
7.1916 ± 0.0006 Å |
| b |
10.6894 ± 0.0008 Å |
| c |
11.9335 ± 0.0009 Å |
| α |
74.19 ± 0.001° |
| β |
84.968 ± 0.002° |
| γ |
89.976 ± 0.002° |
| Cell volume |
879 ± 0.12 Å3 |
| Cell temperature |
298 ± 2 K |
| Ambient diffraction temperature |
298 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.1183 |
| Residual factor for significantly intense reflections |
0.0602 |
| Weighted residual factors for significantly intense reflections |
0.1002 |
| Weighted residual factors for all reflections included in the refinement |
0.1119 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.073 |
| 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/4036852.html
