Information card for entry 7156672
| Common name |
2-phenylthieno[3,2-c]pyridine-4,6,7(5H)-trione |
| Chemical name |
Compound 3 |
| Formula |
C13 H7 N O3 S |
| Calculated formula |
C13 H7 N O3 S |
| Title of publication |
In-flow photooxygenation of aminothienopyridinones generates iminopyridinedione PTP4A3 phosphatase inhibitors. |
| Authors of publication |
Tasker, Nikhil R.; Rastelli, Ettore J.; Blanco, Isabella K.; Burnett, James C.; Sharlow, Elizabeth R.; Lazo, John S.; Wipf, Peter |
| Journal of publication |
Organic & biomolecular chemistry |
| Year of publication |
2019 |
| Journal volume |
17 |
| Journal issue |
9 |
| Pages of publication |
2448 - 2466 |
| a |
5.4276 ± 0.0004 Å |
| b |
9.6873 ± 0.0007 Å |
| c |
10.8442 ± 0.0008 Å |
| α |
69.319 ± 0.006° |
| β |
82.283 ± 0.006° |
| γ |
83.399 ± 0.005° |
| Cell volume |
527.2 ± 0.07 Å3 |
| Cell temperature |
230 ± 2 K |
| Ambient diffraction temperature |
230 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0621 |
| Residual factor for significantly intense reflections |
0.0438 |
| Weighted residual factors for significantly intense reflections |
0.1068 |
| Weighted residual factors for all reflections included in the refinement |
0.1164 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.034 |
| Diffraction radiation wavelength |
1.54178 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/7156672.html
