{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["14(41)"],"submitter":["Jiao J"],"pubmed_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"],"journal":["Chemical science"],"pagination":["11402-11409"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC10599484"],"repository":["biostudies-literature"],"pubmed_title":["Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form."],"pmcid":["PMC10599484"],"pubmed_authors":["Li H","Jiang J","Xie W","Lin C","Jiao J","Zhao Y","Wang L"],"additional_accession":[]},"is_claimable":false,"name":"Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","description":"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","dates":{"release":"2023-01-01T00:00:00Z","publication":"2023 Oct","modification":"2025-04-04T14:35:50.193Z","creation":"2025-02-19T03:05:07.815Z"},"accession":"S-EPMC10599484","cross_references":{"pubmed":["37886082"],"doi":["10.1039/d3sc02995f"]}}