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HERO ID
2909317
Reference Type
Journal Article
Title
STABILIZING THE BOAT CONFORMATION OF CYCLOHEXANE RINGS
Author(s)
Dasgupta, S; Tang, YC; Moldowan, JM; Carlson, RMK; Goddard, WA
Year
1995
Is Peer Reviewed?
Yes
Journal
Journal of the American Chemical Society
ISSN:
0002-7863
EISSN:
1520-5126
Volume
117
Issue
24
Page Numbers
6532-6534
Language
English
DOI
10.1021/ja00129a017
Web of Science Id
WOS:A1995RE57500017
Abstract
In calculating the energetics for various conformers of the A, B, and C series of hopanoid hydrocarbons present in mature oil reservoirs, we find that the B series prefers the boat conformation (by 1.3–2.5 kcal/mol) for the D cyclohexane ring (see Figures 1 and 2). We analyze the structural elements responsible for stabilizing this boat conformation, identify the key features, and illustrate how one might stabilize boat conformations of other systems. 1995, American Chemical Society. All rights reserved.
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