Information card for entry 1559954
| Formula |
C10 H13 F2 N O4 S2 |
| Calculated formula |
C10 H13 F2 N O4 S2 |
| Title of publication |
2-Mercaptomethyl-thiazolidines use conserved aromatic–S interactions to achieve broad-range inhibition of metallo-β-lactamases |
| Authors of publication |
Rossi, Maria-Agustina; Martinez, Veronica; Hinchliffe, Philip; Mojica, Maria F.; Castillo, Valerie; Moreno, Diego M.; Smith, Ryan; Spellberg, Brad; Drusano, George L.; Banchio, Claudia; Bonomo, Robert A.; Spencer, James; Vila, Alejandro J.; Mahler, Graciela |
| Journal of publication |
Chemical Science |
| Year of publication |
2021 |
| Journal volume |
12 |
| Journal issue |
8 |
| Pages of publication |
2898 - 2908 |
| a |
6.9704 ± 0.0003 Å |
| b |
8.0097 ± 0.0003 Å |
| c |
11.9695 ± 0.0005 Å |
| α |
90° |
| β |
100.105 ± 0.002° |
| γ |
90° |
| Cell volume |
657.9 ± 0.05 Å3 |
| Cell temperature |
298 ± 2 K |
| Ambient diffraction temperature |
298 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
4 |
| Hermann-Mauguin space group symbol |
P 1 21 1 |
| Hall space group symbol |
P 2yb |
| Residual factor for all reflections |
0.0362 |
| Residual factor for significantly intense reflections |
0.0323 |
| Weighted residual factors for significantly intense reflections |
0.0844 |
| Weighted residual factors for all reflections included in the refinement |
0.0889 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.115 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/1559954.html
