Conformations of calix[4]arenes — an investigation based on CSD data. Part I. Cone conformers of methylene- and heteroatom-bridged calix[4]arenes

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dc.contributor.author Klimentova, J.
dc.contributor.author Madlova, M.
dc.contributor.author Nemeckova, P.
dc.contributor.author Palatinusova, L.
dc.contributor.author Vojtisek, P.
dc.contributor.author Lukes, I.
dc.date.accessioned 2017-09-21T04:49:33Z
dc.date.available 2017-09-21T04:49:33Z
dc.date.issued 2017-03-30
dc.identifier.citation Klimentova J. Conformations of calix[4]arenes — an investigation based on CSD data. Part I. Cone conformers of methylene- and heteroatom-bridged calix[4]arenes/ J. Klimentova, M. Madlova, P. Nemeckova, L. Palatinusova, P. Vojtisek, I. Lukes//Қарағанды ун-тiнiң хабаршысы. Химия сер.= Вестник КарГУ.Сер.химия. - 2017. - №1. - С.21-47 ru_RU
dc.identifier.uri http://rep.ksu.kz/handle/data/1619
dc.description.abstract Conformations of calix[4]arenes with methylene and heteroatom bridges from the Cambridge Structural Database (CSD) were investigated with the help of the previously introduced parameters α, β and δ. The usefulness of these parameters in describing the conformations of the scaffolds of the above mentioned compounds was demonstrated. The dependence of the values of these parameters on interand/or intramolecular interactions present in the structure was investigated in order to discover how the geometry of the calix[4]arene moiety depends on the above listed effects. Structures with C4v symmetry in the cone group have both β and δ close to 0°. With deformation of the calix[4]arene symmetry towards C2v (flattened cone structures), the β parameter increases. Deformation towards Cs symmetry is best reflected by increase of the parameter δ. Parameter α reflects the degree of 'opening' of the calix[4]arene cavity; structures with four OH groups at the lower rim tend to have lower α and therefore more open structure. ru_RU
dc.language.iso other ru_RU
dc.publisher Вестник Карагандинского университета ru_RU
dc.relation.ispartofseries Химия;
dc.subject calix[4]arene ru_RU
dc.subject conformation ru_RU
dc.subject macromolecules ru_RU
dc.subject torsion angle ru_RU
dc.subject distorsion parameter ru_RU
dc.subject intramolecular interactions ru_RU
dc.title Conformations of calix[4]arenes — an investigation based on CSD data. Part I. Cone conformers of methylene- and heteroatom-bridged calix[4]arenes ru_RU
dc.title.alternative Каликс[4]арендердің конформациялары — CSD мəліметтеріне негізделген зерттеу. I-бөлім. Каликс[4]арендердің метилен- жəне гетероатомды-көпір тəрізді конусты конформерлері ru_RU
dc.title.alternative Конформации каликс[4]аренов — исследование, основанное на данных CSD. Часть I. Конусные конформеры метилен- и гетероатом-мостиковых каликс[4]аренов ru_RU
dc.type Article ru_RU


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