Please use this identifier to cite or link to this item:
https://hdl.handle.net/10316/109823
DC Field | Value | Language |
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dc.contributor.author | Miranda, Micael D. | - |
dc.contributor.author | Silva, Manuela Ramos | - |
dc.contributor.author | Maria, Teresa M. R. | - |
dc.contributor.author | Balakrishna, Avula | - |
dc.contributor.author | Sobral, Abílio J. F. N. | - |
dc.date.accessioned | 2023-10-30T10:47:38Z | - |
dc.date.available | 2023-10-30T10:47:38Z | - |
dc.date.issued | 2012-12-01 | - |
dc.identifier.issn | 1600-5368 | pt |
dc.identifier.uri | https://hdl.handle.net/10316/109823 | - |
dc.description.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. | pt |
dc.language.iso | eng | pt |
dc.publisher | International Union of Crystallography | pt |
dc.relation | project PEst-C/FIS/UI0036/2011 | pt |
dc.relation | PTDC/AAC-CLI/098308/2008 | pt |
dc.relation | PTDC/AAC-CLI/118092/2010 | pt |
dc.rights | openAccess | pt |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | pt |
dc.subject | single-crystal X-ray study | pt |
dc.subject | T = 293 K | pt |
dc.subject | mean (C–C) = 0.005 A° | pt |
dc.subject | R factor = 0.080 | pt |
dc.subject | wR factor = 0.248 | pt |
dc.subject | data-to-parameter ratio = 15.7 | pt |
dc.title | 5,10,15,20-Tetra-kis(4-acetyl-oxyphen-yl)porphyrin including an unknown solvate | pt |
dc.type | article | - |
degois.publication.firstPage | o3462 | pt |
degois.publication.lastPage | o3463 | pt |
degois.publication.issue | Pt 12 | pt |
degois.publication.title | Acta Crystallographica Section E: Structure Reports Online | pt |
dc.peerreviewed | yes | pt |
dc.identifier.doi | 10.1107/S1600536812047332 | pt |
degois.publication.volume | 68 | pt |
dc.date.embargo | 2012-12-01 | * |
uc.date.periodoEmbargo | 0 | pt |
item.grantfulltext | open | - |
item.cerifentitytype | Publications | - |
item.languageiso639-1 | en | - |
item.openairetype | article | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
item.fulltext | Com Texto completo | - |
crisitem.author.researchunit | CQC - Coimbra Chemistry Centre | - |
crisitem.author.researchunit | CQC - Coimbra Chemistry Centre | - |
crisitem.author.parentresearchunit | Faculty of Sciences and Technology | - |
crisitem.author.parentresearchunit | Faculty of Sciences and Technology | - |
crisitem.author.orcid | 0000-0001-9555-8856 | - |
crisitem.author.orcid | 0000-0002-7143-2228 | - |
crisitem.author.orcid | 0000-0003-2866-4995 | - |
crisitem.author.orcid | 0000-0001-6367-027X | - |
Appears in Collections: | FCTUC Química - Artigos em Revistas Internacionais FCTUC Física - Artigos em Revistas Internacionais |
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File | Description | Size | Format | |
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5101520Tetrakis4acetyloxyphenylporphyrin-including-an-unknown-solvateActa-Crystallographica-Section-E-Structure-Reports-Online.pdf | 494.3 kB | Adobe PDF | View/Open |
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