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00SRC478 (913) - C21H24BrNO

Sample Originator: Andy Peltera.

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

Structure Determination: Simon J. Colesb.

University College of Swanseaa
University of Southamptonb

C21H24BrNO

InChI=1/C21H24BrNO/c1-3-23(4-2)21(24)19-13-15-5-6-16-8-10-18(20(22)14-16)12-11-17(19)9-7-15/h7-10,13-14H,3-6,11-12H2,1-2H3

Identification Number:10.5258/ecrystals/777
Date Created:29 October 2000
Deposited On:25 Jun 2014 08:55
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC21 H24 Br N O
Crystal morphology
Crystal systemMonoclinic
Space group symbolCc
Cell length a14.845(3)
Cell length b15.000(3)
Cell length c9.0450(18)
Cell angle alpha90.00
Cell angle beta115.04(3)
Cell angle gamma90.00
Data collection temperature150(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0481
R Factor (All)0.0613
Weighted R Factor (Obs)0.1076
Weighted R Factor (All)0.1159

Citation: Pelter, Andy and Coles, Simon J. and Hursthouse, Michael B. (2000) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/777)
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