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De Gruyter, Zeitschrift für Naturforschung B, 6(48), p. 821-825, 1993

DOI: 10.1515/znb-1993-0618

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Molecular Structure of the Copper(II) Complex of 20-Methoxy-mesoporphyrin IX Dimethyl Ester - A Model for the Enol-Form of Oxophlorins

Journal article published in 1993 by Mathias O. Senge ORCID, Kevin M. Smith ORCID
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

The crystal structure of the title compound was determined to obtain structural information on asymmetric tetrapyrroles bearing an sp3-hybridized meso-oxygen atom. These types of compounds serve as models for the enol-form of oxophlorins, which often are obtained in crystalline form only with rotational disordering of the oxofunction, making conformational analyses difficult. C37H42CuN4O5, monoclinic, P21/n, a = 15.025(7), b = 9.204(3), c = 23.544(9) Å, β = 94.33(4)°, V = 3246.7(13) Å3, 130 K, Z = 4, R = 0.075 for 3186 reflections with I > 2.0 σ(I). The structure is characterized by a planar tetracoordinated copper(II) and an almost planar macrocycle.