Please use this identifier to cite or link to this item:
https://hdl.handle.net/10316/109823
Title: | 5,10,15,20-Tetra-kis(4-acetyl-oxyphen-yl)porphyrin including an unknown solvate | Authors: | Miranda, Micael D. Silva, Manuela Ramos Maria, Teresa M. R. Balakrishna, Avula Sobral, Abílio J. F. N. |
Keywords: | single-crystal X-ray study; T = 293 K; mean (C–C) = 0.005 A°; R factor = 0.080; wR factor = 0.248; data-to-parameter ratio = 15.7 | Issue Date: | 1-Dec-2012 | Publisher: | International Union of Crystallography | Project: | project PEst-C/FIS/UI0036/2011 PTDC/AAC-CLI/098308/2008 PTDC/AAC-CLI/118092/2010 |
Serial title, monograph or event: | Acta Crystallographica Section E: Structure Reports Online | Volume: | 68 | Issue: | Pt 12 | 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 not be identified exactly, it was not included in the calculation of the overall formula weight, density and absorption coefficient. | URI: | https://hdl.handle.net/10316/109823 | ISSN: | 1600-5368 | DOI: | 10.1107/S1600536812047332 | Rights: | openAccess |
Appears in Collections: | FCTUC Química - Artigos em Revistas Internacionais FCTUC Física - Artigos em Revistas Internacionais |
Files in This Item:
File | Description | Size | Format | |
---|---|---|---|---|
5101520Tetrakis4acetyloxyphenylporphyrin-including-an-unknown-solvateActa-Crystallographica-Section-E-Structure-Reports-Online.pdf | 494.3 kB | Adobe PDF | View/Open |
Page view(s)
48
checked on Apr 24, 2024
Download(s)
23
checked on Apr 24, 2024
Google ScholarTM
Check
Altmetric
Altmetric
This item is licensed under a Creative Commons License