Fitzgerald L J, Gerkin R E, Wei G P, Rawal V H
Department of Chemistry, Ohio State University, Columbus 43210.
Acta Crystallogr C. 1993 Nov 15;49 ( Pt 11):1949-52. doi: 10.1107/s0108270193003609.
Diphenanthro[1,2-b;2',1'-d]furan crystallizes in space group Pnma (No. 62) with the mirror plane bisecting the molecule and passing through the furan O atom. Although exhibiting packing similar to that of dibenzofuran, this diphenanthrofuran showed no disorder of the sort found in that close molecular analog. The C atoms of the individual phenanthrene rings of the title compound have a mean deviation of 0.027 (21) A from the best least-squares plane describing the rings. The configuration and conformation of the individual phenanthrene rings in this diphenanthrofuran closely match the theoretical and experimental results for phenanthrene itself. Overall, this diphenanthrofuran molecule adopts a distinct V shape, the dihedral angle between the least-squares best-fit planes of the phenanthrene rings being 11.0 (1.2) degrees.
二菲并[1,2 - b;2',1'- d]呋喃结晶于空间群Pnma（编号62）中，其镜面平分分子并穿过呋喃O原子。尽管该二菲并呋喃的堆积方式与二苯并呋喃相似，但未表现出在那个紧密分子类似物中发现的那种无序。标题化合物中各个菲环的C原子与描述这些环的最佳最小二乘平面的平均偏差为0.027(21) Å。该二菲并呋喃中各个菲环的构型和构象与菲本身的理论和实验结果紧密匹配。总体而言，该二菲并呋喃分子呈独特的V形，菲环的最小二乘最佳拟合平面之间的二面角为11.0(1.2)度。
