Puckering Coordinates of Monocyclic Rings by Triangular Decomposition

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Puckering Coordinates of Monocyclic Rings by Triangular Decomposition

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 pucke...

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ژورنال

عنوان ژورنال: Journal of Chemical Information and Modeling

سال: 2007

ISSN: 1549-9596,1549-960X

DOI: 10.1021/ci600492e