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03SRC863 - C17H12N2O4S5

Sample Originator: Peter J. Skabaraa.

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

Structure Determination: Simon J. Colesb.

University of Strathclydea
University of Southamptonb

C17H12N2O4S5

InChI=1/C9H10NO2S3/c11-10(12)9-3-1-2-8(4-9)5-14-7-15-6-13/h1-4,6H,5,7H2,(H,11,12)

Identification Number:10.5258/ecrystals/1004
Controlled Keywords:charge transfer
Date Created:07 January 2004
Deposited On:23 Dec 2014 09:44
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC17 H12 N2 O4 S5
Crystal morphology
Crystal systemMonoclinic
Space group symbolC2/c
Cell length a24.1967(16)
Cell length b10.5977(7)
Cell length c7.5551(4)
Cell angle alpha90.00
Cell angle beta95.146(3)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0415
R Factor (All)0.0629
Weighted R Factor (Obs)0.0930
Weighted R Factor (All)0.1015

Citation: Skabara, Peter J. and Coles, Simon J. and Hursthouse, Michael B. (2004) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1004)
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