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Keywords:

  • Ab initio calculations;
  • Conformation analysis;
  • Heterocycles;
  • Hydrocarbons;
  • Steric hindrance

Abstract

Full conformational flexibility and yet a high preference for a single backbone conformation is displayed by certain hydrocarbon skeletons such as the one on the right (calculated conformational preference >99%). The principles behind the design of such monoconformational structures are discussed here.