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

Absolute configuration determination of pharmaceutical crystalline powders by MicroED via chiral salt formation.
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DOI:
10.1039/d2cc00221c
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发表时间:
2022-04-12
影响因子:
4.9
通讯作者:
Lin, Yiqing
Lin, Yiqing
中科院分区:
化学2区
文献类型:
--
作者:
Wang, Bo;Bruhn, Jessica F.;Weldeab, Asmerom;Wilson, Timothy S.;McGilvray, Philip T.;Mashore, Michael;Song, Qiong;Scapin, Giovanna;Lin, Yiqing

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微晶电子衍射仪在晶体结构研究中与X射线衍射法具有互补作用。不幸的是,MicroED数据的运动学精化缺乏仅基于测量强度来确定绝对结构的区分能力。在这里,我们报道了一种通过利用手性反离子成盐来确定绝对构型的方法。通过微晶电子衍射(MicroED)分析,人们可以用晶体粉末确定手性分子的绝对构型。
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. One can confidently assign the absolute configuration of a chiral molecule using crystalline powders, via microcrystal electron diffraction (MicroED) analysis.
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