EDO: 1,2-ETHANEDIOL
| 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 |
7CL0_EDO_A_412 | 45% | 86% | 0.19 | 0.922 | 0.65 | 0.09 | - | - | 0 | 0 | 100% | 1 |
7CL0_EDO_A_416 | 37% | 86% | 0.22 | 0.92 | 0.53 | 0.19 | - | - | 0 | 0 | 100% | 1 |
7CL0_EDO_A_411 | 35% | 71% | 0.209 | 0.9 | 0.57 | 0.55 | - | - | 0 | 0 | 100% | 1 |
7CL0_EDO_A_415 | 14% | 85% | 0.264 | 0.814 | 0.54 | 0.21 | - | - | 0 | 0 | 100% | 1 |
7CL0_EDO_A_414 | 13% | 76% | 0.245 | 0.787 | 0.4 | 0.54 | - | - | 0 | 0 | 100% | 1 |
7CL0_EDO_A_418 | 10% | 67% | 0.328 | 0.832 | 0.82 | 0.48 | - | - | 0 | 0 | 100% | 1 |
7CL0_EDO_A_417 | 3% | 76% | 0.548 | 0.871 | 0.73 | 0.22 | - | - | 0 | 0 | 100% | 1 |
7CL0_EDO_A_413 | 2% | 87% | 0.337 | 0.633 | 0.67 | 0.04 | - | - | 0 | 0 | 100% | 1 |