view article
Figure 8
Fragmentation scheme: (a) the starting system bond to be broken is marked, (b) the system after coarse fragmentation obtained by breaking the bond and adding a capping hydrogen, (c) the system with aromatic rings represented as single and double bonds (kekulization was performed), (d) the system after fragmentation with the initial fragments extended by at least one neighbour, the aromatic ring was cut along the assigned single bonds in the kekulization procedure.

IUCrJ
Volume 9| Part 2| March 2022| Pages 298-315
ISSN: 2052-2525
https://doi.org/10.1107/S2052252522000690