Accurate structure models and absolute configuration determination using dynamical effects in continuous-rotation 3D electron diffraction data
Academic source · Nature Chemistry
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Site published: 2026-11-03 · Updated: 2026-11-03
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What the paper reports
The authors incorporated multiple-scattering effects into continuous-rotation 3D electron diffraction refinement. Comparisons across 12 compounds improved structural models, and absolute-structure assignments were evaluated using 58 crystals of nine chiral compounds. The work provides a methodological basis for stereochemical assignment; its benchmark does not establish a universal success rate for pharmaceutical samples.
Why this paper is included
A key methods paper for pharmaceutical stereochemistry, showing why dynamical refinement should be distinguished from conventional kinematical refinement.
The interpretation above is analysis, not a conclusion attributed to the original source.
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