Ethyl-bis-(3,4-dichloro-5-phenylcarbamoyl-1H-pyrrole-2-carboxylic acid amide).tetrabutylammonium

Sample Originator: K Navakhuna and Phil A. Galea.

Data Collection: Simon J. Colesa

Structure Determination: Simon J. Colesa and Michael B. Hursthouse.

University of Southamptona

(C26H18Cl4N6O4) . 2(C16H36N)


Identification Number:10.5258/ecrystals/326
Date Created:15 June 2007
Deposited On:21 Jan 2008 15:30
Deposited By:Dr Simon J Coles

Data collection parameters

Chemical formulaC116 H180 Cl8 N16 O8
Crystal morphology
Crystal systemTriclinic
Space group symbolP-1
Cell length a11.9582(2)
Cell length b23.1506(3)
Cell length c23.5489(4)
Cell angle alpha79.2250(10)
Cell angle beta82.9650(10)
Cell angle gamma75.4470(10)
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0701
R Factor (All)0.1288
Weighted R Factor (Obs)0.1710
Weighted R Factor (All)0.2074

Citation: Navakhun, K and Gale, Phil A. and Coles, Simon J. and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/326)
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