Searching the Cambridge Structural Database for the 'best' representative of each unique polymorph
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Updated: Aug 7, 2026

Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates
Published on: February 15, 2016
1Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, England. streek@ccdc.cam.ac.uk
Abstract:
A computer program has been written that removes suspicious crystal structures from the Cambridge Structural Database and clusters the remaining crystal structures as polymorphs or redeterminations. For every set of redeterminations, one crystal structure is selected to be the best representative of that polymorph. The results, 243,355 well determined crystal structures grouped by unique polymorph, are presented and analysed.
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