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Figure 12
Energy frameworks for the crystal structure of the (S)-enantiomer: (a)–(c) A molecule, (d)–(f) B molecule and (g)–(i) the racemic mixture (major conformer). The tube size is 36 arbitrary units and the cut-off is 8 kJ mol−1. Colouring scheme: total energy = blue, electrostatic energy = red and dispersion energy = green.

Volume 5| Part 6| November 2018| Pages 841-853
ISSN: 2052-2525