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 |