Crystal Structures of the cis and trans Isomers of a Tetrathia [ 3.3.3 .3]cyclophane

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Title:	Crystal Structures of the cis and trans Isomers of a Tetrathia [ 3.3.3 .3]cyclophane
Authors:	Tosha-Barclay;Wallace Cordes;Ya-Chen Yang;Shaw-Tao Lin
Contributors:	保健營養生技學系
Keywords:	Cyclophane;cis;trans;internal strain;tetrathia
Date:	1998-03
Issue Date:	2009-11-02 01:50:47 (UTC+0)
Abstract:	Both the cis and trans isomers of 3,11,18,26-tetrathiatricyclo[26.2.2.15,9.213,16.120,24] hexatriaconta-5,7,9,20,22,24-hexene have been prepared and structurally characterized. Each of these centrosymmetric tetrathia dimers includes two cyclohexane rings in chair conformations with either 1,4-cis or 1,4-trans bonding and two meta-substituted benzene rings. The cis isomer packs into the monoclinic space group P21/a with a = 10.485(3)Å, b = 10.3956(18)Å, c = 14.1343(10)Å, = 105.200(13)°, Z = 2 and refined to an R factor of 0.046. The trans isomer crystallizes in the monoclinic space group P21/c with a = 10.7217(12)Å, b = 5.6797(7)Å, c = 25.415(5)Å, = 96.001(12)°, Z = 2 and refined to an R factor of 0.043. In the cis structure each benzene ring faces a cyclohexane ring while in the trans structure the cyclohexane rings face one another.
Relation:	Journal of Chemical Crystallography, 28(3):171-175.
Appears in Collections:	[Department of Food Nutrition and Healthy Biotechnology] Journal Article

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