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http://hdl.handle.net/10261/95315
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dc.contributor.author | Tejedor, Rosa M. | - |
dc.contributor.author | Uriel, Santiago | - |
dc.contributor.author | Graus, Sara | - |
dc.contributor.author | Sierra, Teresa | - |
dc.contributor.author | Claramunt, Rosa M. | - |
dc.contributor.author | López, Concepción | - |
dc.contributor.author | Pérez-Torralba, Marta | - |
dc.contributor.author | Alkorta, Ibon | - |
dc.contributor.author | Elguero, José | - |
dc.contributor.author | Serrano, José Luis | - |
dc.date.accessioned | 2014-04-10T08:51:37Z | - |
dc.date.available | 2014-04-10T08:51:37Z | - |
dc.date.issued | 2013 | - |
dc.identifier | doi: 10.1002/chem.201204197 | - |
dc.identifier | issn: 0947-6539 | - |
dc.identifier | e-issn: 1521-3765 | - |
dc.identifier.citation | Chemistry - A European Journal 19: 6044- 6051 (2013) | - |
dc.identifier.uri | http://hdl.handle.net/10261/95315 | - |
dc.description.abstract | Achiral compounds 4-methoxy-4-(p-methoxyphenyl)cyclohexanoneethylene ketal (2), 4-hydroxy-4-(p-methoxy phenyl)cyclohexanoneethylene ketal (3), and 3,5-dimethyl-4-nitropyrazole (4) crystallized in chiral structures and the samples showed an enantiomeric excess. We have determined the absolute structures of these compounds by using X-ray diffraction with copper radiation at low temperatures. Moreover, we have also established the prevalent absolute structures in these samples, by comparing their calculated and solid-state vibrational circular dichroism (VCD) spectra. The consistency of this method was confirmed by using (R,R)-2,8-diiodo-4,10-dimethyl-6 H,12H-5,11-methano- dibenzo[b,f][1,5]diazocine, Tröger′s base, (R,R)-1, as a chiral compound of known absolute configuration. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. | - |
dc.description.sponsorship | The authors are grateful to the CICYT FEDER Spanish Project (MAT2009-1463-C03-01, MAT2011-27978-C02-01, and CTQ2010-16122) and to the Governments of Aragón and Madrid (Project MADRISOLAR2, reference S2009/PPQ-1533) for funding. | - |
dc.publisher | John Wiley & Sons | - |
dc.relation | S2009/PPQ-1533/MADRISOLAR2 | - |
dc.rights | closedAccess | - |
dc.subject | Chirality | - |
dc.subject | Enantiomeric excess | - |
dc.subject | Noncovalent interactions | - |
dc.subject | Vibrational circular dichroism | - |
dc.subject | X-ray diffraction | - |
dc.title | A facile method to determine the absolute structure of achiral molecules: Supramolecular-tilt structures | - |
dc.type | artículo | - |
dc.identifier.doi | 10.1002/chem.201204197 | - |
dc.date.updated | 2014-04-10T08:51:37Z | - |
dc.description.version | Peer Reviewed | - |
dc.language.rfc3066 | eng | - |
dc.contributor.funder | Comunidad de Madrid | - |
dc.contributor.funder | Gobierno de Aragón | - |
dc.contributor.funder | Comisión Interministerial de Ciencia y Tecnología, CICYT (España) | - |
dc.relation.csic | Sí | - |
dc.identifier.funder | http://dx.doi.org/10.13039/501100007273 | es_ES |
dc.identifier.funder | http://dx.doi.org/10.13039/100012818 | es_ES |
dc.identifier.funder | http://dx.doi.org/10.13039/501100010067 | es_ES |
dc.type.coar | http://purl.org/coar/resource_type/c_6501 | es_ES |
item.openairetype | artículo | - |
item.grantfulltext | none | - |
item.cerifentitytype | Publications | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
item.fulltext | No Fulltext | - |
Aparece en las colecciones: | (ICMA) Artículos (IQM) Artículos |
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