2-(N-Ferrocenylcarbamoyl)-3,4-diphenylpyrrole-5-carboxylic acid

Sample Originator: C. N. Warriner, G. Denuault, Phil A. Gale, Peter N. Horton, Mark E. Light, Simon J. Coles and Michael B. Hursthouse.

C28H22FeN2O3 . CHCl3 . CH4O . H2O


Identification Number:10.5258/ecrystals/26
Controlled Keywords:Supramolecular Chemistry
Date Created:02 July 2002
Deposited On:21 Jan 2008 15:27
Deposited By:A.N. Admin

Depositor Comments

Four amido-pyrrole cleft anion receptors bearing one or two ferrocene reporter groups have been synthesised and crystallographically characterised. The receptors contain either a non-conjugated (1 and 3) or conjugated (2 and 4) link between the anion binding amido-pyrrole unit and the ferrocene reporter groups. The anion binding affinities and electrochemical behaviour of the receptors in the absence and presence of anions have been studied by 1H NMR titration techniques and cyclic voltammetry using a Pt microdisc working electrode, respectively.

Data collection parameters

Chemical formulaC30 H27 Cl3 Fe N2 O5
Crystal morphology
Crystal systemTriclinic
Space group symbolP-1
Cell length a11.0968(4)
Cell length b11.1517(4)
Cell length c11.9917(5)
Cell angle alpha102.233(2)
Cell angle beta95.688(2)
Cell angle gamma92.374(3)
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0551
R Factor (All)0.0746
Weighted R Factor (Obs)0.1407
Weighted R Factor (All)0.1542

Citation: Warriner, C. N. and Denuault, G. and Gale, Phil A. and Horton, Peter N. and Light, Mark E. and Coles, Simon J. and Hursthouse, Michael B. (2002) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/26)
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