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. 2021 May 21;21(6):3449–3460. doi: 10.1021/acs.cgd.1c00217

Table 1. PABA Form I Face Areas and Numbers of Atoms on Faces Encountered by a Probe.

face area/Å2 atoms atom number scaled to area HB donors HB donors scaled to area HB acceptors HB acceptors scaled to area
(100) 69.296 20 70.29 3 89.38 4 71.2
(010) 343.824 98 344.4 10 297.92 19 338.20
(001) 69.273 14 49.2 5 148.96 5 89.0
error     0.033   0.152   0.033