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03SRC042 - C15H25BrN2O

Sample Originator: Craig Buttsa.

Data Collection: Simon J. Colesb and Michael B. Hursthouseb

Structure Determination: Simon J. Colesb.

University of Exetera
University of Southamptonb

C15H25BrN2O

InChI=1/C15H23N2.BrH.H2O/c1-3-5-11-16-13-17(12-6-4-2)15-10-8-7-9-14(15)16;;/h7-10,13H,3-6,11-12H2,1-2H3;1H;1H2

Identification Number:10.5258/ecrystals/947
Controlled Keywords:structures of ionic liquids
Date Created:05 February 2003
Deposited On:08 Nov 2013 16:21
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC15 H25 Br N2 O
Crystal morphology
Crystal systemMonoclinic
Space group symbolP2(1)/c
Cell length a8.76900(10)
Cell length b18.3239(6)
Cell length c10.4942(3)
Cell angle alpha90.00
Cell angle beta107.374(2)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0334
R Factor (All)0.0500
Weighted R Factor (Obs)0.0797
Weighted R Factor (All)0.0867

Citation: Butts, Craig and Coles, Simon J. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/947)
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