C~20~H~33~N~2~, Br,H~2~O

University of Exetera
University of Southamptonb



Identification Number:10.5258/ecrystals/998
Controlled Keywords:heterocycles
Date Created:22 January 2002
Deposited On:14 Aug 2013 22:43
Deposited By:Mr Steve Lamond

Depositor Comments

Two molecules, 2 bromide counter ions and 2 water solvates. The hydrogens could not be located for the water molecules. Poor data completeness means that disorder cannot be modelled.

Data collection parameters

Chemical formulaC20 H33 Br N2 O
Crystal morphology
Crystal systemorthorhombic
Space group symbolPbca
Cell length a16.6539(4)
Cell length b8.8554(2)
Cell length c56.7289(17)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0560
R Factor (All)0.1076
Weighted R Factor (Obs)0.1272
Weighted R Factor (All)0.1488

Citation: Butts, Craig and Coles, Simon J. and Hursthouse, Michael B. (2002) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/998)
Export as: oreChem EndNote BibTeX ASCII Citation

Repository Staff Only: item control page