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Absolute configuration determination of pharmaceutical crystalline powders by MicroED via chiral salt formation.

ABSTRACT: Microcrystal electron diffraction (MicroED) has established its complementary role alongside X-ray diffraction in crystal structure elucidation. Unfortunately, kinematical refinement of MicroED data lacks the differentiation power to assign the absolute structure solely based on the measured intensities. Here we report a method for absolute configuration determination via MicroED by employing salt formation with chiral counterions.

SUBMITTER: Wang B

PROVIDER: S-EPMC9004345 | biostudies-literature | 2022 Apr

REPOSITORIES: biostudies-literature

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Absolute configuration determination of pharmaceutical crystalline powders by MicroED <i>via</i> chiral salt formation.

Wang Bo B Bruhn Jessica F JF Weldeab Asmerom A Wilson Timothy S TS McGilvray Philip T PT Mashore Michael M Song Qiong Q Scapin Giovanna G Lin Yiqing Y

Chemical communications (Cambridge, England) 20220412 30

Microcrystal electron diffraction (MicroED) has established its complementary role alongside X-ray diffraction in crystal structure elucidation. Unfortunately, kinematical refinement of MicroED data lacks the differentiation power to assign the absolute structure solely based on the measured intensities. Here we report a method for absolute configuration determination <i>via</i> MicroED by employing salt formation with chiral counterions. ...[more]

PMID: 35293405

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