Information card for entry 7247135
| Formula |
C21 H35 N2 O6 P S |
| Calculated formula |
C21 H35 N2 O6 P S |
| Title of publication |
α-Aminophosphonate inhibitors of metallo-β-lactamases NDM-1 and VIM-2 |
| Authors of publication |
Palica, Katarzyna; Deufel, Fritz; Skagseth, Susann; Di Santo-Meztler, Paula; Thoma, Johannes; Andersson Rasmussen, Anna; Valkonen, Arto; Sunnerhagen, Per; Leiros, Hanna-Kirsti S.; Andersson, Hanna; Erdelyi, Mate |
| Journal of publication |
RSC Medicinal Chemistry |
| Year of publication |
2023 |
| a |
9.2861 ± 0.0006 Å |
| b |
11.2061 ± 0.0009 Å |
| c |
12.362 ± 0.0006 Å |
| α |
103.022 ± 0.005° |
| β |
100.213 ± 0.005° |
| γ |
102.017 ± 0.006° |
| Cell volume |
1191.44 ± 0.15 Å3 |
| Cell temperature |
120 ± 2 K |
| Ambient diffraction temperature |
120 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0915 |
| Residual factor for significantly intense reflections |
0.0702 |
| Weighted residual factors for significantly intense reflections |
0.182 |
| Weighted residual factors for all reflections included in the refinement |
0.2123 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.05 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/7247135.html
