XSH: ~{N}-[(2~{R})-1-[4-[[2,4-bis(azanyl)quinazolin-5-yl]oxymethyl]piperidin-1-yl]-1-oxidanylidene-pent-4-yn-2-yl]ethanamide
XSH is a Ligand Of Interest in 8R3I 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 |
|---|
| 8R3I_XSH_B_302 | 63% | 56% | 0.126 | 0.921 | 0.62 | 1.07 | - | 3 | 0 | 0 | 100% | 1 |
| 8R3I_XSH_D_302 | 60% | 61% | 0.138 | 0.922 | 0.57 | 0.9 | - | 1 | 0 | 0 | 100% | 1 |
| 8R3I_XSH_A_302 | 59% | 47% | 0.129 | 0.911 | 0.53 | 1.5 | - | 5 | 0 | 0 | 100% | 1 |
| 8R3I_XSH_C_303 | 57% | 49% | 0.137 | 0.912 | 0.66 | 1.28 | 1 | 2 | 0 | 0 | 100% | 1 |
