A least.squares refinement procedure has been proposed for resolving enantiomorphous am-biguity of noncentrosymmetric structures containing heavy atoms in a centrosymmetric ar-rangement.During the least-squares refine...A least.squares refinement procedure has been proposed for resolving enantiomorphous am-biguity of noncentrosymmetric structures containing heavy atoms in a centrosymmetric ar-rangement.During the least-squares refinement of a pseudo-centrosymmetric image containingboth enantiomorphs,the temperature factors of atoms in one enantiomorph shift in the samedirection,while those of the other shift in the opposite direction.Accordingly the truestructure can be distinguished easily from its enantiomorph.Tests on four unknown struc-tures have shown that the method is very powerful.展开更多
文摘A least.squares refinement procedure has been proposed for resolving enantiomorphous am-biguity of noncentrosymmetric structures containing heavy atoms in a centrosymmetric ar-rangement.During the least-squares refinement of a pseudo-centrosymmetric image containingboth enantiomorphs,the temperature factors of atoms in one enantiomorph shift in the samedirection,while those of the other shift in the opposite direction.Accordingly the truestructure can be distinguished easily from its enantiomorph.Tests on four unknown struc-tures have shown that the method is very powerful.
