Crystal　Structure　of　Calix［4］（dioxo）　crown－6　Acetonitrile（1：3）　Inclusion　Complex  

作　　者：ZHONG Zhen-Lin CHEN Yuan-Yin LU Xue-Ran(Department of Chemistry,Wuhan University,Wuhan 430072)LUO Bao-Sheng CHEN Liao-Rong(Center of Analytical Science,Wuhan University, Wuhan 430072) 

出　　处：《Chinese Journal of Structural Chemistry》1996年第5期358-361,共4页结构化学（英文）

摘　　要：The X-ray crystal structure of the inclusion complex of p-tert-butylcalix [4] crown-6 with actonitrile is reported. C54H70O10·3CH3CN, Mr=1002. 3 ,monoclinic, space group C2/c with cell dimensions of a=23.587(7),b=21.153(6),c=15.608(8) A,β=116.99(3)°,V=6939.2 A3,Z=4, F(000)=2160,Dc=0.959 g/cm3,μ=1.114 cm-1; R=0.088 for 2066 reflections with I>3σ(I).The calixarene subunit exists in a distorted cone conformation. One of the three acetonitrile molecules is located in the intracavity of the calixarene subunit and the other two in the intermolecular channels.

关 键 词：crystal structure CALIXARENE CALIXCROWN acetonitrile inclusion complex 

分 类 号：O641.4[理学—物理化学]