Information card for entry 1512595
| Formula |
C19 H14 O2 S3 |
| Calculated formula |
C19 H14 O2 S3 |
| SMILES |
S1SC(SC)=C(C1=CC(=O)c1ccccc1)C(=O)c1ccccc1 |
| Title of publication |
Palladium Catalyzed Oxidative Coupling of α-Enolic Dithioesters: A New Entry to 3,4,5-Trisubstituted 1,2-Dithiolesviaa Double Activation Strategy |
| Authors of publication |
Chowdhury, Sushobhan; Chanda, Tanmoy; Koley, Suvajit; Ramulu, B. Janaki; Jones, Raymond C. F.; Singh, Maya Shankar |
| Journal of publication |
Organic Letters |
| Year of publication |
2013 |
| Journal volume |
15 |
| Journal issue |
20 |
| Pages of publication |
5386 |
| a |
7.9941 ± 0.0009 Å |
| b |
11.2961 ± 0.0011 Å |
| c |
11.4612 ± 0.0014 Å |
| α |
61.296 ± 0.011° |
| β |
87.362 ± 0.009° |
| γ |
74.901 ± 0.009° |
| Cell volume |
872.6 ± 0.2 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 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 |
0.0799 |
| Residual factor for significantly intense reflections |
0.0459 |
| Weighted residual factors for significantly intense reflections |
0.1106 |
| Weighted residual factors for all reflections included in the refinement |
0.1384 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.895 |
| 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/1512595.html
