2009src1065 - C12H18F3N3O3

Sample Originator: Patrick J. Murphya.

Data Collection: Peter N. Hortonb and Michael B. Hursthouseb

Structure Determination: Peter N. Hortonb.

University of Wales, Bangora
University of Southamptonb



Identification Number:10.5258/ecrystals/1048
Controlled Keywords:small organic salts, hydrogen bonding
Date Created:05 October 2009
Deposited On:17 Nov 2009 16:09
Deposited By:Dr Peter N Horton

Depositor Comments

Author ref code:DME-176-8-10

Data collection parameters

Chemical formulaC12 H18 F3 N3 O3
Crystal morphologyCut Blade
Crystal systemtriclinic
Space group symbolP-1
Cell length a7.9832(6)
Cell length b8.8773(7)
Cell length c12.1929(10)
Cell angle alpha95.866(3)
Cell angle beta107.215(4)
Cell angle gamma114.500(4)
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0313
R Factor (Obs)0.0792
R Factor (All)0.1279
Weighted R Factor (Obs)0.1219
Weighted R Factor (All)0.1416

Citation: Murphy, Patrick J. and Horton, Peter N. and Hursthouse, Michael B. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1048)
Export as: oreChem EndNote BibTeX ASCII Citation

Repository Staff Only: item control page