Abstract Material Studio (MS) software with 7.0 version can be adopted to visualize 3-oxadicyclo(3.2.0)-hepta-1,4-diene (OHD) molecules packing in three dimensional pattern with possible space groups by Visualizer, DMol3 and Polymorph Predictor moduli. Quantitative and qualitative analysis of this given compound crystal structure can also be achieved due to the optimization and refinement of crystallinity simulation. With an intuitive representation of crystal structure, MS provides a better understanding of key points in structural chemistry education process by 3D crystal visualization, which is not available in the traditional Gaussian software.
