O,O'-二乙基6-(4-甲基苯基)-1E,3E,5E-己三烯基膦酸酯的合成与晶体结构(英文)

Synthesis and crystal structure of O, O' -diethyl 6-(4-methylphenyl)-1E, 3E, 5E -hexatrienyl phosphonate

通过X-单晶衍射确定了标题化合物C17H23O3P(Mr=306.32)的结构.该单晶属于三斜晶系,P1-空间群,a=9.852(1),b=9.887(1),c=19.949(3) ,α=83.161(4),β=87.012(3),γ=66.085(3)°,V=1763.7(4) 3,Z=4,Dc=1.154g/cm3,F(000)=656,μ=0.163mm-1,最终反射点的R=0.0785,ωR=0.1854(I>2σ( )).X-单晶衍射表明标题化合物的三个碳碳双键为全反式构型.

The crystal structure of the title compound (C17H23O3P, Mr=306.32) has been prepared and determined by singlecrystal Xray diffraction. The crystal is triclinic, space group P1- with parameters:a=9.852(1), b=9.887(1), c=19.949(3) , α=83.161(4), β=87.012(3), γ=66.085(3) °. V=1 763.7(4) 3, Z=4, Dc=1.154 g/cm3, μ(MoKα)=0.163 mm-1, F(000)=656, the final R=0.078 5 and ωR=0.185 4 for 2 094 observed reflections with I>2σ(Ⅰ). The Xray analysis result confirms the E configuration of the title compound.