A1A51: ethyl 1,4-dimethyl-5-{[6-(trifluoromethyl)pyridin-3-yl]methyl}-1H-pyrazole-3-carboxylate
A1A51 is a Ligand Of Interest in 9DI6 designated by the Author
| Best-fitted instance in this entry |
| Other instances in this entry |
Identifier | Ranking for goodness of fit | Ranking for geometry | Real space R factor | Real space correlation coefficient | RMSZ-bond-length | RMSZ-bond-angle | Outliers of bond length | Outliers of bond angle | Atomic clashes | Stereochemical errors | Model completeness | Average occupancy |
9DI6_A1A51_A_1001 | 85% | 23% | 0.088 | 0.953 | 1.32 | 1.85 | 2 | 8 | 0 | 0 | 100% | 1 |