TY - JOUR AB - We show that a [3 + 6] trigonal prismatic imine (a) cage can rearrange stoichiometrically and structurally to form a [6 + 12] cage (b) with a truncated tetrahedral shape. Molecular simulations rationalize why this rearrangement was only observed for the prismatic [3 + 6] cage TCC1 but not for the analogous [3 + 6] cages, TCC2 and TCC3. Solvent was found to be a dominant factor in driving this rearrangement. AU - Pugh,CJ AU - Santolini,V AU - Greenaway,RL AU - Little,MA AU - Briggs,ME AU - Jelfs,KE AU - Cooper,A DO - 10.1021/acs.cgd.7b01422 EP - 2764 PY - 2018/// SN - 1528-7483 SP - 2759 TI - Cage doubling: solvent-mediated re-equilibration of a [3+6] prismatic organic cage to a large [6+12] truncated tetrahedron T2 - Crystal Growth and Design UR - http://dx.doi.org/10.1021/acs.cgd.7b01422 UR - http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000431599100014&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=1ba7043ffcc86c417c072aa74d649202 UR - http://hdl.handle.net/10044/1/78700 VL - 18 ER -