Branná, Petra Černochová, Jarmila Rouchal, Michal Kulhánek, Petr Babinský, Martin Marek, Radek Nečas, Marek Kuřitka, Ivo Vícha, Robert Cooperative Binding of Cucurbit[<i>n</i>]urils and β‑Cyclodextrin to Heteroditopic Imidazolium-Based Guests Imidazolium-based guests containing two distinct binding epitopes are capable of binding β-cyclodextrin and cucurbit­[6/7]­uril (CB) simultaneously to form heteroternary 1:1:1 inclusion complexes. In the final configuration, the hosts occupy binding sites disfavored in the binary complexes because of the chemically induced reorganization of the intermediate 1:1 aggregate. In addition, the reported guests are capable of binding two CBs to form either 1:2 or 1:1:1 ternary assemblies despite consisting of a single cationic moiety. Whereas the adamantane site binds CB solely via hydrophobic interactions, the CB unit at the butyl site is stabilized by a combination of hydrophobic and ion–dipole interactions. binding epitopes;CB unit;binding sites;complex;binding β- cyclodextrin;Heteroditopic Imidazolium-Based Guests Imidazolium-based guests;cationic moiety;interaction;adamantane site;butyl site;Cooperative Binding 2016-09-23
    https://acs.figshare.com/articles/dataset/Cooperative_Binding_of_Cucurbit_i_n_i_urils_and_Cyclodextrin_to_Heteroditopic_Imidazolium-Based_Guests/3987156
10.1021/acs.joc.6b01564.s002