甲氧甲酰基三氯乙酰基亚甲基三苯基磷——Ylid-Ⅳ晶体结构研究

THE CRYSTAL STRUCTURE OF METHOXY-FORMYL-TRICHLOROACETYL-METHYLENE-PHOSPHORUS (YLID-IV)

Ylid-IV(C_(22)H_(18)O_3PCl_3)的结晶属单斜晶系,空间群为(P2_1)/n,晶胞参数a=13.518(6)A,b=14.923(7)A,c=11.473(5)A,β=99.81(2)°z=4。用PW-1100四圆衍射仪收集衍射强度数据;用直接法(MULTAN-78)解结构;用全矩阵最小二乘方法修正结构,对2582个可观察反射(l>3σ(I))最终的R=0.074;差值Fourier综合确定了氢原子的坐标。

The YLID-IV (G22H18O3PCl3) crystal belongs to the monoclinic system with space group P21/n and unit cell parameter α = 13.518(6)A, b = 14.923(7)A, c = 11.473(5)A, β = 99.81(2), z = 4. The intensity data were collected on the Philips PW-1100 diffrac-tometer. The structure was determined by direct method (MULTAN-78) and refined by full-matrix least-squares method to a final R value of 0.074 for 2592 reflexions. The hydrogen atom locations were determined by difference Fourier synthesis.