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University of California-Davis: Dataset Details, ID=PIWXOJ

Superfund Research Program

Analytical Chemistry Core

Project Leader: Jun Yang
Co-Investigators: Bruce D. Hammock, Bruce A. Buchholz (Lawrence Livermore National Laboratory)
Grant Number: P42ES004699
Funding Period: 1995-2022
View this project in the NIH Research Portfolio Online Reporting Tools (RePORT)

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Title: CCDC 639663: Experimental Crystal Structure Determination

Accession Number: PIWXOJ

Link to Dataset: https://www.ccdc.cam.ac.uk/structures/Search?Ccdcid=PIWXOJ

Repository: Cambridge Structural Database (CSD)

Data Type(s): 3D Structural

Experiment Type(s): Single-crystal X-ray Diffraction

Summary: 1,1,1-Trifluoro-3-(decane-1-sulfinyl)propane-2,2-diol

Publication(s) associated with this dataset:
  • Wheelock CE, Nishi K, Jones PD, Colvin ME, Olmstead MM, Hammock BD. 2008. Influence of sulfur oxidation state and steric bulk upon trifluoromethyl ketone (TFK) binding kinetics to carboxylesterases and fatty acid amide hydrolase (FAAH). Bioorg Med Chem 16(4):2114-2130. doi:10.1016/j.bmc.2007.10.081 PMID:18023188 PMCID:PMC2720161
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