KUP: 5-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
KUP is a Ligand Of Interest in 6NNE 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 |
6NNE_KUP_A_203 | 94% | 17% | 0.073 | 0.97 | 2.08 | 1.54 | 6 | 7 | 0 | 0 | 100% | 1 |
6NNE_KUP_B_203 | 86% | 15% | 0.077 | 0.945 | 2.15 | 1.65 | 7 | 8 | 0 | 0 | 100% | 1 |