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Constructing rings of specified pucker
Author(s) -
Millane R. P.,
Nzewi E. U.
Publication year - 1989
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s002188988801297x
Subject(s) - ring (chemistry) , set (abstract data type) , bond , geometry , bond length , computer program , mathematics , crystallography , computer science , chemistry , crystal structure , programming language , organic chemistry , finance , economics
A method of constructing closed rings of specified pucker is described. A ring is constructed such that a set of puckering parameters as well as the ring bond lengths and bond angles are optimized towards desired values. A computer program is described which generates N ‐membered rings in this way and is illustrated with examples.