On modelling disordered crystal structures through restraints from molecule-in-cluster computations, and distinguishing static and dynamic disorder

Dittrich, B.

doi:10.1107/S2052252521000531

Figure 5
Displacement ellipsoid representations of the structures of telaprevir [CSD refcode LERJID, (a)] and irbesartan bromide sesquihydrate [CSD refcode NIQVIT, (b)]. For molecules the size of LERJID, finding the overlaying atoms and assigning EADP constraints can be facilitated by suitable software. The illustrations were generated with SHELXLE (Hübschle et al., 2011