Hydrogen atoms on carbon were calculated in ideal positions with isotropic displacement parameters set to 1.2 × Ueq(C). The structure 3 was refined as an inversion twin with the contribution of the second domain 0.436(12). Tables and pictures for structures were generated using Olex2 as GUI ...
Atomic coordinates and equivalent isotropic displacement parameters are provided in Table S1 in the Supporting Information (SI). Selected interatomic distances and bond angles are presented in Table S2 in the Supporting Information (SI). Table 1. Crystallographic data and structure refinement parameters ...