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

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 intensi...

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Autores principales: Wang, Bo, Bruhn, Jessica F., Weldeab, Asmerom, Wilson, Timothy S., McGilvray, Philip T., Mashore, Michael, Song, Qiong, Scapin, Giovanna, Lin, Yiqing
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2022
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9004345/
https://www.ncbi.nlm.nih.gov/pubmed/35293405
http://dx.doi.org/10.1039/d2cc00221c
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author Wang, Bo
Bruhn, Jessica F.
Weldeab, Asmerom
Wilson, Timothy S.
McGilvray, Philip T.
Mashore, Michael
Song, Qiong
Scapin, Giovanna
Lin, Yiqing
author_facet Wang, Bo
Bruhn, Jessica F.
Weldeab, Asmerom
Wilson, Timothy S.
McGilvray, Philip T.
Mashore, Michael
Song, Qiong
Scapin, Giovanna
Lin, Yiqing
author_sort Wang, Bo
collection PubMed
description 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.
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spelling pubmed-90043452022-04-14 Absolute configuration determination of pharmaceutical crystalline powders by MicroED via chiral salt formation Wang, Bo Bruhn, Jessica F. Weldeab, Asmerom Wilson, Timothy S. McGilvray, Philip T. Mashore, Michael Song, Qiong Scapin, Giovanna Lin, Yiqing Chem Commun (Camb) Chemistry 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. The Royal Society of Chemistry 2022-03-09 /pmc/articles/PMC9004345/ /pubmed/35293405 http://dx.doi.org/10.1039/d2cc00221c Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by-nc/3.0/
spellingShingle Chemistry
Wang, Bo
Bruhn, Jessica F.
Weldeab, Asmerom
Wilson, Timothy S.
McGilvray, Philip T.
Mashore, Michael
Song, Qiong
Scapin, Giovanna
Lin, Yiqing
Absolute configuration determination of pharmaceutical crystalline powders by MicroED via chiral salt formation
title Absolute configuration determination of pharmaceutical crystalline powders by MicroED via chiral salt formation
title_full Absolute configuration determination of pharmaceutical crystalline powders by MicroED via chiral salt formation
title_fullStr Absolute configuration determination of pharmaceutical crystalline powders by MicroED via chiral salt formation
title_full_unstemmed Absolute configuration determination of pharmaceutical crystalline powders by MicroED via chiral salt formation
title_short Absolute configuration determination of pharmaceutical crystalline powders by MicroED via chiral salt formation
title_sort absolute configuration determination of pharmaceutical crystalline powders by microed via chiral salt formation
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9004345/
https://www.ncbi.nlm.nih.gov/pubmed/35293405
http://dx.doi.org/10.1039/d2cc00221c
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