Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.

ABSTRACT: X-ray crystallography is the most reliable method for structure elucidation and absolute configuration determination of organic molecules based on their single-crystal forms. However, many analytes are hard to crystallize because of their low melting points (an oily state at room temperature) or conformational flexibility. Here, we report the crystallization of a macrocycle, CTX[P(O)Ph] (host), which is a cyclotrixylohydroquinoylene (CTX) derivative, with 26 oily organic molecules (guests), which is applied for the structural determination of the guest with X-ray crystallography. With the aid of the host, CTX[P(O)Ph], the guest molecules were well-ordered with full occupancy in crystal structures. In most cases, at least one guest structure without any disorder could be observed; solvent m

SUBMITTER: Jiao J 

PROVIDER: S-EPMC10599484 | biostudies-literature | 2023 Oct

REPOSITORIES: biostudies-literature