TH0: 4-MERCAPTOBENZENE-1,3-DIOL
| 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 |
|---|
| 4FIK_TH0_A_303 | 97% | 14% | 0.068 | 0.985 | 1.6 | 2.27 | 3 | 4 | 0 | 0 | 100% | 0.4 |
| 4FIK_TH0_A_305 | 90% | 19% | 0.097 | 0.981 | 2.61 | 0.88 | 2 | - | 0 | 0 | 100% | 0.29 |
