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|Title:||Molecular structure of chloro meso-tetra(3,4,5-trimethoxyphenyl)porphyrinato iron(III) - a model compound of cytochrome P-450 active site||Authors:||Ji, L.N.
|Issue Date:||1-Aug-1990||Citation:||Ji, L.N.,Liu, M.,Huang, S.H.,Hu, G.Z.,Zhou, Z.Y.,Koh, L.L.,Hsieh, A.K. (1990-08-01). Molecular structure of chloro meso-tetra(3,4,5-trimethoxyphenyl)porphyrinato iron(III) - a model compound of cytochrome P-450 active site. Inorganica Chimica Acta 174 (1) : 21-25. ScholarBank@NUS Repository.||Abstract:||A model compound of cytochrome P-450 active site, FeTTOMPPCl·CH3OH, has been synthesized. Its crystal and molecular structure have been determined by single crystal X-ray diffraction technique. The crystal is monoclinic, space group Cm, with a = 16.3903(32), b = 26.9037(45), c = 14.9382(29) Å, β = 147.783(9), V = 3512.48(1.16) Å3, Z = 2, Dc = 1.14 g cm-3, μ = 45.1 cm-1, F(000) = 1351.78. The structure was solved by the heavy-atom method and refined by block diagonal and full matrix least- squares procedures to a final R of 0.1087 for the 1157 independent reflections. The molecular formula as determined by elemental analysis and confirmed by the crystal structure is FeC56H52N4O12Cl·CH 3OH. The stereochemistry of the compound and the mechanism of its reaction with O2 were discussed. © 1990.||Source Title:||Inorganica Chimica Acta||URI:||http://scholarbank.nus.edu.sg/handle/10635/94309||ISSN:||00201693|
|Appears in Collections:||Staff Publications|
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