אסיף מאגר המחקר החקלאי

Sample applications of an algorithm for the calculation of the number of isomers with more than one type of achiral substituent

Year:

1999

Source of publication :

Authors :

Volume :

39

Co-Authors:

Dolhaine, H., Henkel KGaA, Henkelstraße 67, D-40191 Düsseldorf, Germany
Hönig, H., Institute for Organic Chemistry, Technical University Graz, Stremayrgasse 16, A-8010 Graz, Austria
Van Almsick, M., Am Markuskreuz 6, D-45133 Essen, Germany

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Abstract:

An isomer enumeration program written in a symbolic manipulation language and incorporating an efficient algorithm1 based on Pólya's theorem is applied to a number of molecules of interest for organic chemists: acenaphthylene, anthracene, azulene, benzene, chrysene, corannulene, coronene, cubane, cyclopropane to cyclohexane, dibenzo[2.2]paracyclophane, C20-[5]-fullerane (dodecahedrane), C24-[4,6]-fullerane, C36-[5,6]-fullerene, C60-[5,6]-fullerene, as-indacene, s-indacene, naphthalene, pentalene, perylene, phenanthrene, prismane, [5]-prismane. [6]-prismane, pyrene, tetrahedrane, triphenylene, triptycene and twistane. The numbers of enantiomeric pairs and achiral derivatives are listed whenever induced chirality by substitution is possible. A discussion of inositols and their respective oligomers is included.

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