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Abstract

Key indicators: single-crystal X-ray study; T = 293 K; mean (C-C) = 0.005 Å; R factor = 0.080; wR factor = 0.248; data-to-parameter ratio = 15.7.Molecules of the title compound, C 52 H 38 N 4 O 8 , are located on an inversion center so that the asymmetric cell contains one half of the molecule. The macrocycle exhibits a ruffled conformation with a maximum deviation of 0.16 Å for the 24 macrocycle atoms: the dihedral angle between adjacent five-membered rings is 5. 13 (19) . The benzene rings are rotated by 70.25 (19) with respect to their adjacent protonated five-membered rings, and by 65.56 (19) with respect to the unprotonated rings. The porphyrin conformation is supported by bifurcated N-HÁ Á Á(N,N) hydrogen bonds. The structure contained poorly resolved solvent molecules in voids of volume 217 Å 3 per unit cell. The latter were treated using the SQUEEZE routine in PLATON [Spek (2009) D65, 148-155]. As the solvent could not be identified exactly, it was not included in the calculation of the overall formula weight, density and absorption coefficient. . Acta Cryst. Related literature ExperimentalCrystal data