G024 · Alkaloid

Evodiamine

C19H17N3O · 303.36 g mol⁻¹

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INTERACTIVE 3D STRUCTURE

Explore Evodiamine in its crystalline sponge

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CHONCage

2D chemical structure of Evodiamine — Evodiamine · 2D chemical structure

3D crystal structure of Evodiamine determined by the crystalline-sponge method — Evodiamine · crystalline-sponge guest structure

Evodiamine inside a crystalline sponge coordination cage — Evodiamine · coordination-cage host–guest structure

Evodiamine ordered in a chiral coordination-cage crystalline sponge prepared through the capillary workflow.

The major-occupancy guest and host conformer are shown from the deposited crystal model.

Molecular formula: C19H17N3O
Molecular weight: 303.36 g mol⁻¹
CCDC accession: 2416194 ↗
Host: chiral Pd₆L₄ cage
Study: Angew. Chem. 2025
Compound in publication: 7

SOURCE PUBLICATION

Host-Guest Chemistry in a Capillary Applied to the Facilitation of the Crystalline Sponge Method

Angewandte Chemie International Edition 2025

DOI 10.1002/anie.202501025 ↗

Enhanced absolute-configuration determination

The known absolute configuration of the chiral diamine ligand at each Pd center of the cage serves as an internal stereochemical reference for comparison with the guest. Introducing chirality into the host framework also improves absolute-structure discrimination by anomalous scattering, as assessed by the Flack parameter below.

Chiral cage 1b · CCDC 2416194 ↗

Flack x = 0.014(2) (Parsons; CIF)

Evodiamine · Chiral cage 1b · Measured guest structure — Measured guest structure

Evodiamine · Chiral cage 1b · Host–guest structure — Host–guest structure