000149798 001__ 149798
000149798 005__ 20251017144645.0
000149798 0247_ $$2doi$$a10.1002/chem.201204197
000149798 0248_ $$2sideral$$a81877
000149798 037__ $$aART-2013-81877
000149798 041__ $$aeng
000149798 100__ $$0(orcid)0000-0003-1141-5933$$aTejedor, R.M.$$uUniversidad de Zaragoza
000149798 245__ $$aA facile method to determine the absolute structure of achiral molecules: Supramolecular-tilt structures
000149798 260__ $$c2013
000149798 5060_ $$aAccess copy available to the general public$$fUnrestricted
000149798 5203_ $$aAchiral 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.
000149798 536__ $$9info:eu-repo/grantAgreement/ES/CICYT/CTQ2010-16122$$9info:eu-repo/grantAgreement/ES/CICYT/MAT2009-1463-C03-01$$9info:eu-repo/grantAgreement/ES/CICYT/MAT2011-27978-C02-01
000149798 540__ $$9info:eu-repo/semantics/openAccess$$aAll rights reserved$$uhttp://www.europeana.eu/rights/rr-f/
000149798 590__ $$a5.696$$b2013
000149798 591__ $$aCHEMISTRY, MULTIDISCIPLINARY$$b22 / 145 = 0.152$$c2013$$dQ1$$eT1
000149798 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/acceptedVersion
000149798 700__ $$0(orcid)0000-0001-7636-9187$$aUriel, S.$$uUniversidad de Zaragoza
000149798 700__ $$aGraus, S.$$uUniversidad de Zaragoza
000149798 700__ $$0(orcid)0000-0001-7091-077X$$aSierra, T.$$uUniversidad de Zaragoza
000149798 700__ $$0(orcid)0000-0001-9866-6633$$aSerrano, J.L.$$uUniversidad de Zaragoza
000149798 700__ $$aClaramunt, R.M.
000149798 700__ $$aLópez, C.
000149798 700__ $$aPérez-Torralba, M.
000149798 700__ $$aAlkorta, I.
000149798 700__ $$aElguero, J.
000149798 7102_ $$12013$$2765$$aUniversidad de Zaragoza$$bDpto. Química Orgánica$$cÁrea Química Orgánica
000149798 7102_ $$12012$$2X$$aUniversidad de Zaragoza$$bDpto. Química Física$$cÁrea Laboratorios F. Ciencias
000149798 773__ $$g19, 19 (2013), 6044-6051$$pChemistry (Weinh.)$$tChemistry - A European Journal$$x0947-6539
000149798 8564_ $$s816490$$uhttps://zaguan.unizar.es/record/149798/files/texto_completo.pdf$$yPostprint
000149798 8564_ $$s2581625$$uhttps://zaguan.unizar.es/record/149798/files/texto_completo.jpg?subformat=icon$$xicon$$yPostprint
000149798 909CO $$ooai:zaguan.unizar.es:149798$$particulos$$pdriver
000149798 951__ $$a2025-10-17-14:33:37
000149798 980__ $$aARTICLE