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The title compound crystallizes with an orthorhombic P cell, a = 893.5(1), b = 949.2(2), c = 1520.6(3) pm; Z = 4, space group Pnab. Its molecular conformation has crystallographic C2-symmetry with one phenylene ring in the plane of the three oxygen atoms, the other rings extending almost perpendicularly above and below this plane. The two kinds of oxygen atoms in the molecule show characteristic differences with respect to CO bond lengths and COC bond angles; only the oxygen lying on the C 2 -axis (joining the "perpendicular" rings) exhibits π-interactions with its phenylene rings. The influence of electronic and steric factors on the preferred conformation of the class of compounds (arylene) 3 X 3  is pointed out.

zeitschrift für naturforschung b

Organometalloidal Compounds with o-Phenylene Substituents, VII [1] Crystal and Molecular Structure of 10,15-Dihydro-5H-5,10,15-trioxa-tribenzo [a,d,g] cyclononene (Trimeric o-Phenylene Oxide) and its Implications Concerning Preferred Conformations of Compounds (Arylene) 3 X 3