IE3: [3-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-4-methoxy-phenyl]-(3,4,5-trimethoxyphenyl)methanone
IE3 is a Ligand Of Interest in 7Z63 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 |
|---|
| 7Z63_IE3_CCC_202 | 88% | 20% | 0.091 | 0.965 | 1.71 | 1.64 | 5 | 10 | 0 | 0 | 100% | 1 |
| 7Z63_IE3_AAA_202 | 86% | 26% | 0.089 | 0.958 | 1.62 | 1.41 | 4 | 6 | 0 | 0 | 100% | 1 |
| 7Z63_IE3_DDD_202 | 74% | 22% | 0.122 | 0.951 | 1.28 | 1.95 | 4 | 13 | 0 | 0 | 100% | 0.8235 |
| 7Z63_IE3_BBB_202 | 39% | 19% | 0.142 | 0.904 | 1.79 | 1.65 | 5 | 3 | 0 | 0 | 68% | 0.6765 |
