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Structural Archive

Crystalline Structures

Explore selected single-crystal structures from our research in three dimensions.

We gratefully acknowledge the support of the Shanghai Synchrotron Radiation Facility.

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π-Stacked Dyads · 2025

Sa-F3⊂CB[8]: meta-benzene core

Dual-CB[8]-restricted ring-in-rings complex with a cofacial meta-benzene dyad (CCDC 2402046).

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π-Stacked Dyads · 2025

Sb-F3⊂CB[8]: para-benzene core

Ring-in-rings complex featuring a cofacial para-benzene dyad and oppositely oriented carbonyl pairs (CCDC 2402048).

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π-Stacked Dyads · 2025

Sc-F3⊂CB[8]: Antiparallel 1,4-naphthalene

Solid-state evidence for antiparallel cofacial stacking of a 1,4-naphthalene dyad (CCDC 2402049).

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π-Stacked Dyads · 2025

Sd-F3⊂CB[8]: 2,7-naphthalene core

Ring-in-rings complex with a cofacial 2,7-naphthalene dyad and aligned carbonyl pairs (CCDC 2402032).

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π-Stacked Dyads · 2025

Sg-F3⊂CB[8]: para-biphenyl core

Extended ring-in-rings complex displaying a cofacial para-biphenyl dyad within dual CB[8] clamps (CCDC 2402050).

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Chiral Ring-in-Ring Complexes · 2025

(S)-BINAD-F3⊂CB[8]: chiral ring-in-ring

Axially chiral BINAD compresses to a 77° dihedral angle and induces an 18° helical twist in the stacked phenylpyridinium units (CCDC 2404494).

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π-Stacked Dyads · 2025

BPP₂·CB[8]₂: Na⁺-bridged 2:2 intermediate

Two 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).

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π-Stacked Dyads · 2026

BPP: free-state π-stacked dyad

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).

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Cucurbituril-POM Hybrids · 2026

CB[5]-NH₂POM: portal-directed motif

One 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).

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Cucurbituril-POM Hybrids · 2026

CB[5]-CH₃POM: outer-surface motif

A CB[5] outer wall contacts four neighboring CH₃POM clusters without portal engagement, producing a more isotropic packing motif (CCDC 2452568).

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