TH0: 4-MERCAPTOBENZENE-1,3-DIOL



Best-fitted instance in this entry
Other instances in this entry
IdentifierRanking for goodness of fit Ranking for geometry Real space R factor Real space correlation coefficient RMSZ-bond-length RMSZ-bond-angleOutliers of bond length Outliers of bond angle Atomic clashesStereochemical errorsModel completenessAverage occupancy
4FIK_TH0_A_303 97% 16% 0.068 0.9851.6 2.27 3 400100%0.4
4FIK_TH0_A_305 90% 21% 0.097 0.9812.61 0.88 2 -00100%0.29