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2007src1053 - C20H30Cl1N1O2S1

Sample Originator: Adrian Dobbsb.

Data Collection: Richard A Stephensona

Structure Determination: Richard A Stephensona.

University of Southamptona
Queen Mary, University of Londonb

C20H30Cl1N1O2S1

InChI=1/C20H30ClNO2S/c1-3-19(21)18-13-14-22(20(18)16-7-5-4-6-8-16)25(23,24)17-11-9-15(2)10-12-17/h9-12,16,18-20H,3-8,13-14H2,1-2H3/t18-,19-,20-/m1/s1

Identification Number:10.5258/ecrystals/388
Date Created:21 August 2007
Deposited On:12 May 2008 13:13
Deposited By:Dr Richard A Stephenson

Data collection parameters

Chemical formulaC20 H30 Cl N O2 S
Crystal morphologyWedge
Crystal systemOrthorhombic
Space group symbolPbca
Cell length a13.0538(3)
Cell length b15.5288(3)
Cell length c19.1088(4)
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)0.0406
R Factor (All)0.0550
Weighted R Factor (Obs)0.1017
Weighted R Factor (All)0.1096

Citation: Stephenson, Richard A and Dobbs, Adrian and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/388)
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