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2007src1050 -

Sample Originator: Adrian Dobbsa.

Data Collection: Richard Stephensonb

Structure Determination: Richard Stephensonb.

Queen Mary, University of Londona
University of Southamptonb

InChI=1/C20H29NO2S/c1-3-7-17-14-15-21(20(17)18-8-5-4-6-9-18)24(22,23)19-12-10-16(2)11-13-19/h3,7,10-13,17-18,20H,4-6,8-9,14-15H2,1-2H3/b7-3+/t17-,20-/m0/s1

Identification Number:10.5258/ecrystals/418
Date Created:09 May 2008
Deposited On:04 Jun 2008 10:49
Deposited By:Dr Richard A Stephenson

Data collection parameters

Chemical formulaC20 H29 N O2 S
Crystal morphologyBlock
Crystal systemMonoclinic
Space group symbolP21/c
Cell length a7.7257(2)
Cell length b21.1223(7)
Cell length c11.5315(2)
Cell angle alpha90.00
Cell angle beta96.654(2)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0678
R Factor (All)0.0950
Weighted R Factor (Obs)0.1531
Weighted R Factor (All)0.1737

Citation: Dobbs, Adrian and Stephenson, Richard and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/418)
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