149798 20251017144645.0 doi 10.1002/chem.201204197 sideral 81877 ART-2013-81877 eng Tejedor, R.M. Universidad de Zaragoza (orcid)0000-0003-1141-5933 A facile method to determine the absolute structure of achiral molecules: Supramolecular-tilt structures 2013 Access copy available to the general public Unrestricted 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. info:eu-repo/grantAgreement/ES/CICYT/CTQ2010-16122 info:eu-repo/grantAgreement/ES/CICYT/MAT2009-1463-C03-01 info:eu-repo/grantAgreement/ES/CICYT/MAT2011-27978-C02-01 info:eu-repo/semantics/openAccess All rights reserved http://www.europeana.eu/rights/rr-f/ 5.696 2013 CHEMISTRY, MULTIDISCIPLINARY 22 / 145 = 0.152 2013 Q1 T1 info:eu-repo/semantics/article info:eu-repo/semantics/acceptedVersion Uriel, S. Universidad de Zaragoza (orcid)0000-0001-7636-9187 Graus, S. Universidad de Zaragoza Sierra, T. Universidad de Zaragoza (orcid)0000-0001-7091-077X Serrano, J.L. Universidad de Zaragoza (orcid)0000-0001-9866-6633 Claramunt, R.M. López, C. Pérez-Torralba, M. Alkorta, I. Elguero, J. 2013 765 Universidad de Zaragoza Dpto. Química Orgánica Área Química Orgánica 2012 X Universidad de Zaragoza Dpto. Química Física Área Laboratorios F. Ciencias 19, 19 (2013), 6044-6051 Chemistry (Weinh.) Chemistry - A European Journal 0947-6539 816490 http://zaguan.unizar.es/record/149798/files/texto_completo.pdf Postprint 2581625 http://zaguan.unizar.es/record/149798/files/texto_completo.jpg?subformat=icon icon Postprint oai:zaguan.unizar.es:149798 articulos driver 2025-10-17-14:33:37 ARTICLE