For model used see: Chiu et al. described a series of coronenes which, as a function of the clash of the external substituent benzo-and thieno-groups form two different conformations. These molecular systems were described as 'contorted' -and show a clear case for the conformational typing available using SCSD. The four crystal structures are described using a series of plane-to-plane angles and variable descriptions ("up-down", e.g., Fig. and "butterfly" (Fig. , UVOMUO) which can be simply extracted as the eigenmodes of B3g for "up-down" and B1u for "butterfly". The values of these deformations can be tabulated (B3g: 18.58 Å for UVOMOI, 18.38 Å for UVOMIC and 21.33 Å for UVONAV; B1u: 25.78 for UVOMUO). The increased value for UVONAV reflects the influence of the C60 supramolecular adduct in UVONAV on the molecules' shape. and can be copied to an external plotting program. Figure S7. SCSD plot of the butterfly deformation of CCDC:UVOMUO; the molecule deforms along its B1g dissymmetric mode, resulting in C2v symmetry . This parameterization also makes the identification of the pertinent point groups trivial by inspection of the Mondrian diagram. Finally, good agreement is found between the measured eigenmodes of each example, even with drastically different magnitudes (i.e., B3g in UVOMUO at 1.66 Å).