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Figure 10
E(MPIE) GFN2-xTB evaluation of the GFN1-xTB optimized experimental Z′ = 2 crystal structure in comparison with the two hypothetical archetype structures generated from the experimental 1Z,2R,4R,7S,11S-3,3,7,11-tetra-methyl­tri­cyclo­(6.3.0.02,4)undec-1(8)-en-4-ol structure FICCUP. Symmetry operations of SG P212121 used in ARU codes given in both E(MPIE) plots are provided in the left insert.

IUCrJ
Volume 11| Part 3| May 2024| Pages 347-358
ISSN: 2052-2525
https://doi.org/10.1107/S2052252524002641