Crystal and molecular structure of 5-ethoxy-4-methylene-exo-10-oxatricyclo[5.2.1.02,6]-deca-8-ene-3-ol,C12H16O3期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

Crystal and molecular structure of 5-ethoxy-4-methylene-exo-10-oxatricyclo[5.2.1.02,6]-deca-8-ene-3-ol,C12H16O3

Authors:	J. M. M. Smits Paul T. Beurskens A. J. H. Klunder M. J. F. M. Crul

Affiliation:	(1) Crystallography Laboratory, University of Nijmegen, Toernooiveld, 6525 ED Nijmegen, The Netherlands;(2) Department of Organic Chemistry, University of Nijmegen, Toernooiveld, 6525 ED Nijmegen, The Netherlands

Abstract:	The structure of the title compound, C₁₂H₁₆O₃, was determined by X-rays.M_r=208.26, triclinic, space groupP¯1,a=7.802(2),b=8.449(2),c=9.069(1) Å,=90.79(1)°,=105.57(1)°, =106.07(1)°,Z=2,D_x=1.26 Mg m^–3; MoK radiation (graphite crystal monochromator, =0.71069 Å),(MoK)=0.96 cm^–1,T=290 K. Final conventionalR-factor=0.046,R_w=0.067 for 3009 observed reflections and 184 variables. The structure was solved using Patterson methods andDirdif, and the resulting all cis-endo configuration of the alcohol group on C(3) and the ethoxy group on C(5) shows that the stereochemistry of the metal-mediated addition reaction involved is solely determined by steric factors.

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