title: Unconventional U-shaped conformation of a bolaamphiphile embedded in a synthetic host.
abstract: The X-ray crystal structure of 1,12-dodecane diammonium (C(12)DA(2+)) encapsulated in cucurbit[8]uril reveals an unconventional U-shaped conformation of C(12)DA(2+), which is attributed to the favorable host-guest interactions to overcome the charge-charge repulsion of the two ammonium groups in close proximity and high internal strain.
authors.affiliation: National Creative Research Initiative Center for Smart Supramolecules (CSS), Department of Chemistry and Division of Advanced Materials Science (WCU project), Pohang University of Science and Technology (POSTECH), Pohang 790-784, Republic of Korea.
authors.forename: Kangkyun
authors.initials: K
authors.lastname: Baek
authors.forename: Youngkook
authors.initials: Y
authors.lastname: Kim
authors.forename: Hyunuk
authors.initials: H
authors.lastname: Kim
authors.forename: Minyoung
authors.initials: M
authors.lastname: Yoon
authors.forename: Ilha
authors.initials: I
authors.lastname: Hwang
authors.forename: Young Ho
authors.initials: YH
authors.lastname: Ko
authors.forename: Kimoon
authors.initials: K
authors.lastname: Kim
mesh_terms: D001952:Bridged-Ring Compounds / Q000737:chemistry*; D018360:Crystallography, X-Ray; D003959:Diamines / Q000737:chemistry*; D007093:Imidazoles / Q000737:chemistry*; D008958:Models, Molecular; D008968:Molecular Conformation; D047028:Macrocyclic Compounds; D000099246:Cucurbit(n)urils
chemical_list: D001952:Bridged-Ring Compounds; D003959:Diamines; D007093:Imidazoles; C507198:cucurbit(8)uril; D047028:Macrocyclic Compounds; D000099246:Cucurbit(n)urils; C016417:1,12-dodecamethylenediamine