Skip Navigation
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Your Environment. Your Health.

Dataset Details

Superfund Research Program

Title: CCDC 178195: Experimental Crystal Structure Determination

Accession Number: WUPVOS

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

Repository: Cambridge Structural Database (CSD)

Data Type(s): 3D Structural

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

Summary: 1,1,1-Trifluoro-3-(octane-1-sulfonyl)-propan-2,2-diol

Publication(s) associated with this dataset:
  • Wheelock CE, Colvin ME, Uemura I, Olmstead MM, Sanborn JR, Nakagawa Y, Jones AD, Hammock BD. 2002. Use of ab initio calculations to predict the biological potency of carboxylesterase inhibitors. J Med Chem 45(25):5576-5593. PMID:12459025
Project(s) associated with this dataset:
Back
to Top