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

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F17%3A10359064" target="_blank" >RIV/00216208:11310/17:10359064 - isvavai.cz</a>

Result on the web

<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=Fsy7ST7sx7" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=Fsy7ST7sx7</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.31489/2017Ch1/21-47" target="_blank" >10.31489/2017Ch1/21-47</a>

Result language

angličtina

Original language name

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

Original language description

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 alfa, beta and delta. 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 inter- and/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 beta and delta close to 0°. With deformation of the calix[4]arene symmetry towards C2v (flattened cone structures), the beta parameter increases. Deformation towards Cs symmetry is best reflected by increase of the parameter. Parameter alfa reflects the degree of &apos;opening&apos; of the calix[4]arene cavity; structures with four OH groups at the lower rim tend to have lower alfa and therefore more open structure.

Czech name

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Czech description

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Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

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OECD FORD branch

10401 - Organic chemistry

Project

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Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2017

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Bulletin of Karaganda State University, Series chemistry

ISSN

2518-718X

e-ISSN

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Volume of the periodical

neuveden

Issue of the periodical within the volume

85

Country of publishing house

KZ - KAZAKSTAN

Number of pages

27

Pages from-to

21-47

UT code for WoS article

000402127500003

EID of the result in the Scopus database

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