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Figure 3
Diagram showing the molecular shell, calculated using a radius of van der Waals + 0.5 Å, from the phenyl ring fragment of a molecule in AABHTZ (Werner, 1976BB57) (highlighted in yellow). The packing shell generated here highlights the aromatic interactions present in the structure. Full packing shells of molecules can be calculated by selecting a molecule (rather than a fragment) as the base unit.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 53| Part 1| February 2020| Pages 226-235
https://doi.org/10.1107/S1600576719014092
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