Issue 94, 2022

Absolute configuration determination of SMTP-7 via microcrystal electron diffraction (MicroED)

Abstract

Direct absolute configuration determination of a drug candidate bearing five chiral centers, SMTP-7, is lacking. With only few-micron-sized powders available, we assigned the absolute configuration of SMTP-7 via MicroED analysis through kinematical refinement with additional chiral information and directly through the recently developed dynamical refinement approach. We showcased the utility of the latest advance in MicroED to unambiguously assign absolute configuration for hard-to-crystallize, complex, and quantity-limited molecules.

Graphical abstract: Absolute configuration determination of SMTP-7 via microcrystal electron diffraction (MicroED)

Supplementary files

Article information

Article type
Communication
Submitted
22 sep. 2022
Accepted
14 oct. 2022
First published
28 oct. 2022
This article is Open Access
Creative Commons BY-NC license

Chem. Commun., 2022,58, 13071-13074

Absolute configuration determination of SMTP-7 via microcrystal electron diffraction (MicroED)

B. Wang and Y. Lin, Chem. Commun., 2022, 58, 13071 DOI: 10.1039/D2CC05218K

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