<HashMap><database>biostudies-literature</database><scores/><additional><omics_type>Unknown</omics_type><volume>68(Pt 12)</volume><submitter>Miranda MD</submitter><pubmed_abstract>Mol-ecules of the title compound, C52H38N4O8, are located on an inversion center so that the asymmetric cell contains one half of the mol-ecule. 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-H⋯(N,N) hydrogen bonds. The structure contained poorly resolved solvent mol-ecules in voids of volume 217 Å(3) per unit cell. The latter were treated using the SQUEEZE routine in PLATON [Spek (2009 ▶). Acta Cryst. D65, 148-155]. As the solvent could </pubmed_abstract><journal>Acta crystallographica. Section E, Structure reports online</journal><pagination>o3462-3</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC3589037</full_dataset_link><repository>biostudies-literature</repository><pubmed_title>5,10,15,20-Tetra-kis(4-acetyl-oxyphen-yl)porphyrin including an unknown solvate.</pubmed_title><pmcid>PMC3589037</pmcid><pubmed_authors>Maria TM</pubmed_authors><pubmed_authors>Sobral AJ</pubmed_authors><pubmed_authors>Balakrishna A</pubmed_authors><pubmed_authors>Miranda MD</pubmed_authors><pubmed_authors>Ramos Silva M</pubmed_authors></additional><is_claimable>false</is_claimable><name>5,10,15,20-Tetra-kis(4-acetyl-oxyphen-yl)porphyrin including an unknown solvate.</name><description>Mol-ecules of the title compound, C52H38N4O8, are located on an inversion center so that the asymmetric cell contains one half of the mol-ecule. 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-H⋯(N,N) hydrogen bonds. The structure contained poorly resolved solvent mol-ecules in voids of volume 217 Å(3) per unit cell. The latter were treated using the SQUEEZE routine in PLATON [Spek (2009 ▶). Acta Cryst. D65, 148-155]. As the solvent could </description><dates><release>2012-01-01T00:00:00Z</release><publication>2012 Dec</publication><modification>2025-04-21T23:42:05.394Z</modification><creation>2019-03-27T01:05:40Z</creation></dates><accession>S-EPMC3589037</accession><cross_references><pubmed>23476273</pubmed><doi>10.1107/S1600536812047332</doi></cross_references></HashMap>