Please use this identifier to cite or link to this item:
https://hdl.handle.net/10316/109827
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Andrade, L. C. R. | - |
dc.contributor.author | Paixão, J. A. | - |
dc.contributor.author | Almeida, M. J. M. | - |
dc.contributor.author | Carvalho, J. F. S. | - |
dc.contributor.author | Silva, M. M. C. | - |
dc.date.accessioned | 2023-10-30T12:24:19Z | - |
dc.date.available | 2023-10-30T12:24:19Z | - |
dc.date.issued | 2012-01 | - |
dc.identifier.issn | 1600-5368 | pt |
dc.identifier.uri | https://hdl.handle.net/10316/109827 | - |
dc.description.abstract | The title cholestan, C(28)H(46)O(3), was prepared by epoxidation of 7-norcholest-5-en-3β-yl acetate and crystallized by slow evaporation from an ethano-lic solution. All rings are trans fused. The 3β-acetate and the 17β-cholestane side chain are in equatorial positions. The mol-ecule is highly twisted due to its B-nor characteristic. A quantum chemical ab-initio Roothaan Hartree-Fock calculation of the equilibrium geometry of the isolated mol-ecule gives values for bond lengths and valency angles in close agreement with the experimental ones. | pt |
dc.language.iso | eng | pt |
dc.publisher | International Union of Crystallography | pt |
dc.relation | project PEst-C/FIS/UI0036/2011 | 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 | pt |
dc.subject | wR factor = 0.138 | pt |
dc.subject | data-to-parameter ratio = 21.7 | pt |
dc.title | 5α,6α-Ep-oxy-7-norcholestan-3β-yl acetate | pt |
dc.type | article | - |
degois.publication.firstPage | o237 | pt |
degois.publication.lastPage | o237 | pt |
degois.publication.issue | Pt 1 | pt |
degois.publication.title | Acta Crystallographica Section E: Structure Reports Online | pt |
dc.peerreviewed | yes | pt |
dc.identifier.doi | 10.1107/S1600536811054249 | pt |
degois.publication.volume | 68 | pt |
dc.date.embargo | 2012-01-01 | * |
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 | CFisUC – Center for Physics of the University of Coimbra | - |
crisitem.author.researchunit | CFisUC – Center for Physics of the University of Coimbra | - |
crisitem.author.researchunit | CNC - Center for Neuroscience and Cell Biology | - |
crisitem.author.orcid | 0000-0001-6560-0347 | - |
crisitem.author.orcid | 0000-0003-4634-7395 | - |
crisitem.author.orcid | 0000-0002-1938-4150 | - |
Appears in Collections: | FFUC- Artigos em Revistas Internacionais I&D CNC - Artigos em Revistas Internacionais FCTUC Física - Artigos em Revistas Internacionais |
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File | Description | Size | Format | |
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56Epoxy7norcholestan3yl-acetateActa-Crystallographica-Section-E-Structure-Reports-Online.pdf | 281.45 kB | Adobe PDF | View/Open |
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