Abstract
The title compound, C49H49N7O2, is a crowded tricyclic heterocycle substituted with six benzyl groups. It is related to the hexaazaisowurtzitane family of high-density, high-energy polycyclic cage compounds. The central six-membered ring adopts a boat conformation which minimizes the steric repulsion of the six benzyl substituents. The nitromethylene substituent on the methylene C atom of one of the five-membered rings has a considerable influence on the metric parameters of that ring. From the bond distances in the nitro group and the five-membered ring it appears that the molecule is zwitterionic, rather than neutral, in the vicinity of the nitro group.
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