An example of the use of quartet and triplet structure invariants when enantiomorph discrimination is difficult
Abstract
Problems relating to enantiomorph discrimination in the structure determination of the alborixin antibiotic (C48O14H-84, K+) are studied. To select the starting set, quartet structure invariants are used to define two orthogonal classes of reflexions, and a variation of the tangent formula refinement using the phases of the triplet invariants is described.