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2007src1052 - C22H28Cl1N1O2S1

Sample Originator: Adrian Dobbsa.

Data Collection: Richard Stephensonb

Structure Determination: Richard Stephensonb.

Queen Mary, University of Londona
University of Southamptonb

C22H28Cl1N1O2S1

InChI=1/C22H28ClNO2S/c1-3-20-21(23)15-16-24(22(20)14-11-18-7-5-4-6-8-18)27(25,26)19-12-9-17(2)10-13-19/h4-10,12-13,20-22H,3,11,14-16H2,1-2H3/t20-,21-,22+/m1/s1

Identification Number:10.5258/ecrystals/443
Date Created:03 June 2008
Deposited On:03 Jun 2008 10:27
Deposited By:Dr Richard A Stephenson

Data collection parameters

Chemical formulaC22 H28 Cl N O2 S
Crystal morphology
Crystal systemMonoclinic
Space group symbolP2(1)
Cell length a8.9411(3)
Cell length b11.0719(3)
Cell length c10.9373(4)
Cell angle alpha90.00
Cell angle beta99.810(2)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0404
R Factor (All)0.0470
Weighted R Factor (Obs)0.1043
Weighted R Factor (All)0.1078

Citation: Dobbs, Adrian and Stephenson, Richard and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/443)
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