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2007src0763 - C19H28ClNO2S

Sample Originator: F. H. Frya.

Data Collection: Louise Maleb

Structure Determination: Louise Maleb and Michael B. Hursthouseb.

University of Exetera
University of Southamptonb

C19H28ClNO2S

InChI=1/C19H30ClNO2S/c1-14-8-10-17(11-9-14)24(22,23)21-13-12-18(15(2)20)19(21)16-6-4-3-5-7-16/h8-11,15-16,18-19,24H,3-7,12-13H2,1-2H3,(H,22,23)/t15-,18+,19+/m0/s1

Identification Number:10.5258/ecrystals/332
Date Created:29 June 2007
Deposited On:21 Jan 2008 15:30
Deposited By:Dr Louise Male

Data collection parameters

Chemical formulaC19 H28 Cl N O2 S
Crystal morphologyRod
Crystal systemOrthorhombic
Space group symbolP na2(1)
Cell length a15.4076(3)
Cell length b12.9924(4)
Cell length c9.3800(3)
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)0.0699
R Factor (All)0.0743
Weighted R Factor (Obs)0.1726
Weighted R Factor (All)0.1761

Citation: Fry, F. H. and Male, Louise and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/332)
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