A1JEJ: (3~{S},7~{R})-2-oxa-9$l^{6}-thia-5,8,14-triazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),11,13-triene 9,9-dioxide
A1JEJ is a Ligand Of Interest in 9REO 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 |
|---|
| 9REO_A1JEJ_A_404 | 71% | 12% | 0.102 | 0.921 | 2.09 | 1.93 | 6 | 2 | 0 | 0 | 100% | 0.5 |
| 9REO_A1JEJ_A_403 | 65% | 25% | 0.103 | 0.905 | 2.05 | 1.04 | 6 | 1 | 0 | 0 | 100% | 0.5 |
| 9REO_A1JEJ_A_402 | 38% | 24% | 0.156 | 0.855 | 2.08 | 1.07 | 5 | - | 0 | 0 | 100% | 0.81 |
| 9REO_A1JEJ_A_405 | 15% | 17% | 0.175 | 0.772 | 2.5 | 1.14 | 6 | 1 | 0 | 0 | 81% | 0.8 |
| 9REO_A1JEJ_A_401 | 7% | 30% | 0.206 | 0.652 | 2.05 | 0.78 | 4 | - | 0 | 0 | 100% | 0.5 |
