Information card for entry 7119028
| Formula |
C19 H19 F6 N O4 |
| Calculated formula |
C19 H19 F6 N O4 |
| SMILES |
c1(c(cc2cc(ccc2c1)OCC(=O)N(CC)CC)O)C(C(F)(F)F)(C(F)(F)F)O |
| Title of publication |
Design, synthesis and evaluation of novel (19)F magnetic resonance sensitive protein tyrosine phosphatase inhibitors. |
| Authors of publication |
Li, Yu; Xia, Guiquan; Guo, Qi; Wu, Li; Chen, Shizhen; Yang, Zhigang; Wang, Wei; Zhang, Zhong-Yin; Zhou, Xin; Jiang, Zhong-Xing |
| Journal of publication |
MedChemComm |
| Year of publication |
2016 |
| Journal volume |
7 |
| Journal issue |
8 |
| Pages of publication |
1672 - 1680 |
| a |
7.7617 ± 0.0014 Å |
| b |
9.9794 ± 0.0018 Å |
| c |
13.124 ± 0.002 Å |
| α |
101.841 ± 0.003° |
| β |
100.386 ± 0.003° |
| γ |
97.192 ± 0.003° |
| Cell volume |
964.6 ± 0.3 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 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 |
0.0735 |
| Residual factor for significantly intense reflections |
0.0426 |
| Weighted residual factors for significantly intense reflections |
0.0878 |
| Weighted residual factors for all reflections included in the refinement |
0.1036 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.988 |
| 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/7119028.html
