{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["68(Pt 12)"],"submitter":["Miranda MD"],"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 "],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o3462-3"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC3589037"],"repository":["biostudies-literature"],"pubmed_title":["5,10,15,20-Tetra-kis(4-acetyl-oxyphen-yl)porphyrin including an unknown solvate."],"pmcid":["PMC3589037"],"pubmed_authors":["Maria TM","Sobral AJ","Balakrishna A","Miranda MD","Ramos Silva M"],"additional_accession":[]},"is_claimable":false,"name":"5,10,15,20-Tetra-kis(4-acetyl-oxyphen-yl)porphyrin including an unknown solvate.","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 ","dates":{"release":"2012-01-01T00:00:00Z","publication":"2012 Dec","modification":"2025-04-21T23:42:05.394Z","creation":"2019-03-27T01:05:40Z"},"accession":"S-EPMC3589037","cross_references":{"pubmed":["23476273"],"doi":["10.1107/S1600536812047332"]}}