A1ITJ: (5~{R})-4-[(4-bromanyl-2-ethyl-phenyl)methyl]-1-(5-chloranylpyridin-3-yl)carbonyl-~{N}-ethyl-1,4-diazepane-5-carboxamide
A1ITJ is a Ligand Of Interest in 9HAJ 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 |
|---|
| 9HAJ_A1ITJ_A_401 | 98% | 64% | 0.059 | 0.981 | 0.57 | 0.82 | 1 | 3 | 0 | 0 | 100% | 0.99 |
| 9HAJ_A1ITJ_B_401 | 97% | 57% | 0.064 | 0.977 | 0.57 | 1.07 | 1 | 4 | 0 | 0 | 100% | 0.99 |
