ArticleCommunications chemistry2023
Structure determination of a low-crystallinity covalent organic framework by three-dimensional electron diffraction.
Article in Communications chemistry, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.
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Who cites it
7 citing papers in PubMed.
- Beyond PXRD Pattern Matching: Toward Rigorous Structure Determination in Covalent Organic Frameworks.Angewandte Chemie (International ed. in English) · 2026Article
- Unravelling the Atomic Structure of a Metal-Covalent Organic Framework Assembled from Ruthenium Metalloligands.Advanced materials (Deerfield Beach, Fla.) · 2025Article
- Determining Covalent Organic Framework Structures Using Electron Crystallography and Computational Intelligence.Journal of the American Chemical Society · 2025Article
- Probing Defects in Covalent Organic Frameworks.ACS applied materials & interfaces · 2024Review
- Single-Crystal Structural Analysis of 2D Metal-Organic Frameworks and Covalent Organic Frameworks by Three-Dimensional Electron Diffraction.Accounts of chemical research · 2024Article
- Applying 3D ED/MicroED workflows toward the next frontiers.Acta crystallographica. Section C, Structural chemistry · 2024Article
- Synthesis and Structure Determination of Substituted Thiazole Derivatives as EGFR/BRAFPharmaceuticals (Basel, Switzerland) · 2023Article
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Authors and funding
3 authors.
Funding
Abstract
Covalent organic frameworks (COFs) have been attracting intense research due to their permanent porosity, designable architecture, and high stability. However, COFs are challenging to crystallize and their synthesis often results in tiny crystal sizes and low crystallinities, which hinders an unambiguous structure determination. Herein, we demonstrate that the structure of low-crystallinity COF Py-1P nanocrystals can be solved by coupling three-dimensional electron diffraction (3DED) with simulated annealing (SA). The resulting model is comparable to that obtained from high-crystallinity samples by dual-space method. Moreover, for low-resolution 3DED data, the model obtained by SA shows a better framework than those provided by classic direct method, dual-space method, and charge flipping. We further simulate data with different resolutions to understand the reliability of SA under different crystal quality conditions. The successful determination of Py-1P structure by SA compared to other methods provides new knowledge for using 3DED to analyze low-crystallinity and nanosized materials.
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Registered trials
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