Structural Archive
Explore a curated three-dimensional collection of cucurbituril-related single-crystal structures from our group and the wider research community.
We gratefully acknowledge the support of the Shanghai Synchrotron Radiation Facility.
A centrosymmetric BPP molecule forms a parallel slipped dyad with a 3.438 Å interchromophore spacing, the free-state reference for confinement-induced structural restriction (CCDC 2444592).
View publicationThe chlorine analogue adopts the same CB[8]-enforced folded geometry in its 0.839(6)-occupancy major orientation, providing the slower heavy-atom control (CCDC 2536394).
View publicationThe 1:2 complex pairs two extended 4-terphenylpyridinium guests within CB[8], illustrating the aromatic overlap used to suppress axial slippage (CCDC 2474359).
View publicationThe 1:2 complex pairs two 4-biphenylpyridinium guests within CB[8], confirming the binding geometry inferred from NMR (CCDC 2474071).
View publicationA CB[5] outer wall contacts four neighboring CH₃POM clusters without portal engagement, producing a more isotropic packing motif (CCDC 2452568).
View publicationOne protonated Anderson-type NH₂POM is linked at both termini to two CB[5] portals by five-point contacts, defining the anisotropic growth axis (CCDC 2452567).
View publicationCB[8] folds the tethered guest to juxtapose its covalently bound bromine atom and aldehyde within one cavity, defining the photoactive predisposed geometry (CCDC 2536393).
View publicationTwo untethered aldehyde guests bind antiparallel in a 1:2 complex with their aldehydes directed toward opposite portals, preventing intramolecular heavy-atom proximity (CCDC 2536395).
View publicationAxially chiral BINAD compresses to a 77° dihedral angle and induces an 18° helical twist in the stacked phenylpyridinium units (CCDC 2404494).
View publicationExtended ring-in-rings complex displaying a cofacial para-biphenyl dyad within dual CB[8] clamps (CCDC 2402050).
View publicationRing-in-rings complex with a cofacial 2,7-naphthalene dyad and aligned carbonyl pairs (CCDC 2402032).
View publicationSolid-state evidence for antiparallel cofacial stacking of a 1,4-naphthalene dyad (CCDC 2402049).
View publicationRing-in-rings complex featuring a cofacial para-benzene dyad and oppositely oriented carbonyl pairs (CCDC 2402048).
View publicationTwo parallel BPP guests are clamped by two CB[8] hosts, while a symmetry-related Na⁺ pair bridges both CB[8] portals and the BPP carbonyls (CCDC 2417619).
View publicationDual-CB[8]-restricted ring-in-rings complex with a cofacial meta-benzene dyad (CCDC 2402046).
View publicationCB[8] binds the nonterminal Leu/Tyr dipeptide site of Gly-Gly-Leu-Tyr-Gly-Gly-Gly, revealing a pair-inclusion motif and host-induced type II β-turn (CCDC 2312293).
View publicationTwo CB[8] hosts organize two hydroxytriazine-linked bis(bromophenylpyridinium) guests into the quaternary stacking motif used for visible-light-excited aqueous RTP (CCDC 1951720).
View publicationThe G5 control forms a 2:1 CB[8] complex with carboxypyridylamide phenylpyridinium guests, contrasting the multivalent G1/G2 dimerization motifs (CCDC 1813465).
View publicationG1 forms a 2:2 quaternary CB[8] complex in which the hosts capture antiparallel Py⁺/benzyl heterodimers at the two ends of the backbone (CCDC 1810722).
View publicationThe G3 control crystallizes as a 2:1 CB[8] complex without the unusual cationic Py⁺/Py⁺ stacking seen for G2 (CCDC 1813463).
View publicationThe G4 control pairs two methoxycarbonyl-pyridylamide phenylpyridinium guests in a 2:1 CB[8] complex (CCDC 1813464).
View publicationG2 forms a 2:2 quaternary complex that places two cationic Py⁺ units in parallel stacking inside each CB[8] cavity (CCDC 1810723).
View publicationCB[8] pairs two p-methoxyphenyl-N-methylpyridinium T1 guests in a head-to-tail 1:2 complex from the Chem. Asian J. study (CCDC 977538).
View publicationCB[8] captures two p-(methylthio)phenyl-N-methylpyridinium T2 guests as a head-to-tail 1:2 aromatic dyad (CCDC 977539).
View publicationTwo Phe-Gly-Gly guests share one CB[8] cavity, visualizing the cooperative dimerization mode driven by paired phenyl inclusion and portal ammonium contacts.
View publicationCB[8] binds Trp-Gly-Gly through indole inclusion and N-terminal ammonium chelation at the portal, capturing the sequence-specific recognition motif from the JACS 2006 study.
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