{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Li X"],"funding":["NIEHS NIH HHS"],"pagination":["o1073"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC2979148"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["66(Pt 5)"],"pubmed_abstract":["The mol-ecular structure of the title compound, C(14)H(11)Cl(3)O(4)S, displays a biphenyl dihedral angle of 4.9 (2)° between the benzene rings, which is significantly smaller than the calculated dihedral angle of 41.2° of biphenyl derivatives without ortho substituents. The C(Ar)-O bond length of 1.432 (4) Å is comparable with other sulfuric acid biphenyl-4-yl ester 2,2,2-trichloro-ether ester derivatives without electronegative substituents in the sulfated phenyl ring."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pubmed_title":["Biphenyl-4-yl 2,2,2-trichloro-ethyl sulfate."],"pmcid":["PMC2979148"],"funding_grant_id":["K25 ES012475","P30 ES005605","P42 ES013661"],"pubmed_authors":["Li X","Duffel MW","Robertson LW","Parkin S","Lehmler HJ"],"additional_accession":[]},"is_claimable":false,"name":"Biphenyl-4-yl 2,2,2-trichloro-ethyl sulfate.","description":"The mol-ecular structure of the title compound, C(14)H(11)Cl(3)O(4)S, displays a biphenyl dihedral angle of 4.9 (2)° between the benzene rings, which is significantly smaller than the calculated dihedral angle of 41.2° of biphenyl derivatives without ortho substituents. The C(Ar)-O bond length of 1.432 (4) Å is comparable with other sulfuric acid biphenyl-4-yl ester 2,2,2-trichloro-ether ester derivatives without electronegative substituents in the sulfated phenyl ring.","dates":{"release":"2010-01-01T00:00:00Z","publication":"2010 Apr","modification":"2025-04-04T14:42:43.826Z","creation":"2019-03-27T00:00:23Z"},"accession":"S-EPMC2979148","cross_references":{"pubmed":["21579128"],"doi":["10.1107/S1600536810012845"]}}