Fig. 4. (a) Diamondoid hydrogen bonding network formed by ADTA (red: O; grey: C; white: H). (b) CSP map for ADTA. The different colors highlight the number of unique hydrogen-bond networks interpenetrated within each structure: blue are 5-fold, yellow are 4-fold, green are 3-fold, red are 2-fold interpenetrated. Charcoal are non-interpenetrated diamondoid hydrogen bonded networks and light grey dots show structures that do not contain the diamondoid hydrogen bonding; (c–e) comparison between predicted and experimental (c) 5-, (d) 4-, (e) 3- fold interpenetrated structures, blue: prediction; red: experiment; (e). Solvent molecules in the experimental 4- and 3-fold interpenetrated structures are hidden.
