PE5: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL
| 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 |
5CTH_PE5_C_301 | 0% | 66% | 0.611 | 0.591 | 0.92 | 0.39 | 1 | - | 0 | 0 | 89% | 0.8889 |
5CTH_PE5_A_301 | 0% | 69% | 0.74 | 0.642 | 0.89 | 0.31 | 1 | - | 1 | 0 | 89% | 0.8889 |
5CTH_PE5_C_302 | 0% | 72% | 0.934 | 0.73 | 0.82 | 0.29 | - | - | 4 | 0 | 89% | 0.8889 |
5CTH_PE5_A_302 | 0% | 67% | 0.94 | 0.603 | 0.9 | 0.4 | - | - | 0 | 0 | 89% | 0.8889 |
5CTH_PE5_B_302 | 0% | 71% | 1.096 | 0.749 | 0.82 | 0.32 | 1 | - | 1 | 0 | 89% | 0.8889 |