113451-50-6Relevant academic research and scientific papers
Twisted Polycyclic Aromatic Hydrocarbons. Structural Studies of Protic and Deuteriated 1,2,3,4-Tetraphenyltriphenylenes
Pascal, Robert A.,Engen, Donna Van,Kahr, Bart,McMillan, William D.
, p. 1687 - 1689 (1988)
An X-ray crystallographic study of 1,2,3,4-tetraphenyltriphenylene shows that the polycyclic nucleus of this molecule is substantially twisted due to severe nonbonded interactions between the triphenylene hydrogen atoms and the proximal carbons of the 1- and 4-phenyl groups.The two independent molecules in the crystallographic unit cell exhibit twists of 28.1 deg and 30.9 deg, slightly less than the 33 deg twist predicted by MM2(85). 1,2,3,4-Tetraphenyltriphenylene was prepared to determine if the twist angle would be altered by deuteriumsubstitution, and it was found that the X-ray structures of the deuteriated and protic molecules did not differ significantly.
