What to do when h, k and l do not describe all the reflections in the diffraction?

Jessica Bruhn
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Abstract

Here I will present a recently determined crystal structure of ipragliflozin L - proline, a pharmaceutical drug used for the treatment of type 2 diabetes. Due to the small crystal size, MicroED was used to determine this structure. Initial phasing was carried out in the orthorhombic space group P 212121, but refinement in this space group proved to be challenging. Subsequent reduction in symmetry to P 21 produced a structure that could be refined
当 h、k 和 l 不能描述衍射中的所有反射时该怎么办?
在这里,我将介绍最近测定的ipragliflozin L - proline的晶体结构,这是一种用于治疗2型糖尿病的药物。由于晶体尺寸较小,因此使用 MicroED 来确定该结构。最初在正交空间群 P 212121 中进行了分相,但事实证明在该空间群中重新分相具有挑战性。随后将对称性降低到 P21,得到了一种可以重新定型的结构
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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