Puckering Coordinates of Monocyclic Rings by Triangular Decomposition

  title={Puckering Coordinates of Monocyclic Rings by Triangular Decomposition},
  author={Anthony D. Hill and Peter J. Reilly},
  journal={Journal of chemical information and modeling},
  volume={47 3},
We describe a new method of describing the pucker of an N-member monocyclic ring using N - 3 parameters. To accomplish this, three ring atoms define a reference plane, and the remainder of the ring is decomposed into triangular flaps. The angle of incidence for each flap upon the reference plane is then measured. The combination of these angles is characteristic of the ring's pucker. This puckering coordinate system is compared to existing reduced parameter systems to describe rings using a… CONTINUE READING


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