Single-crystal x-ray diffraction structures of covalent organic frameworks
Top Cited Papers
- 6 July 2018
- journal article
- research article
- Published by American Association for the Advancement of Science (AAAS) in Science
- Vol. 361 (6397), 48-52
- https://doi.org/10.1126/science.aat7679
Abstract
The crystallization problem is an outstanding challenge in the chemistry of porous covalent organic frameworks (COFs). Their structural characterization has been limited to modeling and solutions based on powder x-ray or electron diffraction data. Single crystals of COFs amenable to x-ray diffraction characterization have not been reported. Here, we developed a general procedure to grow large single crystals of three-dimensional imine-based COFs (COF-300, hydrated form of COF-300, COF-303, LZU-79, and LZU-111). The high quality of the crystals allowed collection of single-crystal x-ray diffraction data of up to 0.83-angstrom resolution, leading to unambiguous solution and precise anisotropic refinement. Characteristics such as degree of interpenetration, arrangement of water guests, the reversed imine connectivity, linker disorder, and uncommon topology were deciphered with atomic precision-aspects impossible to determine without single crystals.This publication has 36 references indexed in Scilit:
- p-Nitrostilbene-tert-Butyl-Nitrone: a Novel Fluorescent Spin Trap for the Detection of ROS with Subcellular ResolutionApplied Magnetic Resonance, 2009
- A Crystalline Imine-Linked 3-D Porous Covalent Organic FrameworkJournal of the American Chemical Society, 2009
- OLEX2: a complete structure solution, refinement and analysis programJournal of Applied Crystallography, 2009
- A short history of SHELXActa Crystallographica Section A Foundations of Crystallography, 2007
- Porous, Crystalline, Covalent Organic FrameworksScience, 2005
- Tetrahedral n-Type Materials: Efficient Quenching of the Excitation of p-Type Polymers in Amorphous FilmsJournal of the American Chemical Society, 2005
- Interpenetrating metal–organic and inorganic 3D networks: a computer-aided systematic investigation. Part I. Analysis of the Cambridge structural databaseCrystEngComm, 2004
- Molecular tectonics — Use of urethanes and ureas derived from tetraphenylmethane and tetraphenylsilane to build porous chiral hydrogen-bonded networksCanadian Journal of Chemistry, 2004
- [20] Processing of X-ray diffraction data collected in oscillation modeMethods in Enzymology, 1997
- 13C‐ENDOR Investigation of an Organic Tetraradical in the Quintet State; Synthesis of a Fourfold 13C‐Labeled TetrakisgalvinolAngewandte Chemie-International Edition, 1986