Experimental electron diffraction patterns and high resolution images were used to determine the space group and unit cell dimensions of 2,3,6,7,10,11-hexakispentyloxytriphenylene. Subsequently the molecular conformation was calculated by energy minimized package in Cerius2. Using this method, we got the HPT crystal structure: space group: P6/mmm; lattice type: hexogonal; the lattice parameters area = b= 20.3 Å,c= 3.52 Å, α = β = 90°, γ = 120°. The core of HPT is not perpendicular to the column. The angle betweenaaxis and HPT core plane is 9° which cannot be seen inb-cprojection. The simulated ED patterns and HREM images are good agreement with the experimental ED patterns and HREM images.