Crystal and molecular structure of trans,trans-tetrabenzo[a,c,g,i]cyclododecene

Abstract

The title compound crystallizes in space group C2/c with a= 16·810(5), b= 16·694(5), c= 13·835(4)Å, β= 98·41(2)°. The structure was solved by direct methods from diffractometer data and was refined to R 0·060 for 2416 independent, observed reflexions. The structure consists of two independent molecules lying in different orientations on crystallographic two-fold axes. This implies that the free molecule has D₂(222) symmetry. The molecular geometry in the crystal structure is discussed in terms of distortion from this symmetry.