Utilize este identificador para referenciar este registo:
https://hdl.handle.net/10316/110230
Campo DC | Valor | Idioma |
---|---|---|
dc.contributor.author | Santos, R. C. | - |
dc.contributor.author | Pinto, R. M. A. | - |
dc.contributor.author | Beja, A. Matos | - |
dc.contributor.author | Salvador, J. A. R. | - |
dc.contributor.author | Paixão, J. A. | - |
dc.date.accessioned | 2023-11-20T12:56:47Z | - |
dc.date.available | 2023-11-20T12:56:47Z | - |
dc.date.issued | 2009-08-08 | - |
dc.identifier.issn | 1600-5368 | pt |
dc.identifier.uri | https://hdl.handle.net/10316/110230 | - |
dc.description.abstract | The title triterpene, C(30)H(50)O(2), is an 18α-oleanane derivative prepared by the Wagner-Meerwein rearrangement of betulin with Bi(OTf)(3).xH(2)O (OTF is trifluoromethanesulfonate). There are two symmetry-independent mol-ecules in the asymmetric unit that show no significant differences concerning bond lengths and angles. The conformation of the six-membered rings is close to a chair form, while the five-membered epoxide rings adopt envelope conformations. All rings are trans-fused. In the crystal, mol-ecules are held together by O-H⋯O hydrogen bonds. A quantum-mechanical ab initio Roothan Hartree-Fock calculation on the isolated mol-ecule gives values for bond lengths and valency angles close to the experimental values. The calculations also reproduce well the mol-ecular conformation with calculated puckering parameters that match well the observed values. | pt |
dc.language.iso | eng | pt |
dc.publisher | International Union of Crystallography | pt |
dc.relation | SFRH/ BD/18013/2004 | pt |
dc.relation | SFRH/BD/23700/2005 | 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; mean (C–C) = 0.004 A° | pt |
dc.subject | R factor = 0.048; wR factor = 0.140 | pt |
dc.subject | data-to-parameter ratio = 11.0 | pt |
dc.title | 19β,28-Ep-oxy-18α-olean-3β-ol | pt |
dc.type | article | - |
degois.publication.firstPage | o2088 | pt |
degois.publication.lastPage | o2089 | pt |
degois.publication.issue | Pt 9 | pt |
degois.publication.title | Acta Crystallographica Section E: Structure Reports Online | pt |
dc.peerreviewed | yes | pt |
dc.identifier.doi | 10.1107/S1600536809030311 | pt |
degois.publication.volume | 65 | pt |
dc.date.embargo | 2009-08-08 | * |
uc.date.periodoEmbargo | 0 | pt |
item.fulltext | Com Texto completo | - |
item.grantfulltext | open | - |
item.languageiso639-1 | en | - |
item.cerifentitytype | Publications | - |
item.openairetype | article | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
crisitem.author.researchunit | CNC - Center for Neuroscience and Cell Biology | - |
crisitem.author.researchunit | CQC - Coimbra Chemistry Centre | - |
crisitem.author.researchunit | CFisUC – Center for Physics of the University of Coimbra | - |
crisitem.author.parentresearchunit | Faculty of Sciences and Technology | - |
crisitem.author.orcid | 0000-0003-2354-4177 | - |
crisitem.author.orcid | 0000-0003-1449-5123 | - |
crisitem.author.orcid | 0000-0003-0779-6083 | - |
crisitem.author.orcid | 0000-0003-4634-7395 | - |
Aparece nas coleções: | FCTUC Física - Artigos em Revistas Internacionais FFUC- Artigos em Revistas Internacionais |
Ficheiros deste registo:
Ficheiro | Descrição | Tamanho | Formato | |
---|---|---|---|---|
1928Epoxy18olean3olActa-Crystallographica-Section-E-Structure-Reports-Online.pdf | 342.51 kB | Adobe PDF | Ver/Abrir |
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