Figure 11
MC simulation of the coronene crystal (P21/n, Z = 2): distribution of mutual in-plane rotation angles against distances between molecular centres of mass (ordered crystal values: 0° at 4.69 and 9.39 Å; 132° at 8.42 Å). Restricted distribution with some 60° jumps at room temperature (blue diamonds) and spread in distance and angle at 500 K (red circles). |