3-(1-Adamantyl)-6-methyl-3-(3-methylbenzyl)-isochroman-1-one
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F70883521%3A28110%2F09%3A63508176" target="_blank" >RIV/70883521:28110/09:63508176 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
3-(1-Adamantyl)-6-methyl-3-(3-methylbenzyl)-isochroman-1-one
Original language description
In the title compound, C28H32O2, the oxanone ring adopts distorted half-boat conformation with the following Cremer and Pople puckering parameters: Q = 0.619 (2) ?, = 0.75 (19) and = 172 (13)°. The dihedral angle betwen two benzene rings is 21.32 (7)°. The adamantane unit consists of three fused cyclohexane rings in classical chair conformations, with absolute values of C?C?C?C torsion angles in the range 57.5 (2)?60.9 (2)°. Weak interactions of the type C?H???O link molecules of each enantiomer into chains parallel to the b axis and lying about inversion centers. The crystal packing is also stabilized by intermolecular ?stacking interactions [centroid-centroid distance of 3.8566 (11) ?].
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CC - Organic chemistry
OECD FORD branch
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Result continuities
Project
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Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2009
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Acta Crystallographica Section E - Structure Reports Online
ISSN
1600-5368
e-ISSN
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Volume of the periodical
65
Issue of the periodical within the volume
6
Country of publishing house
DK - DENMARK
Number of pages
1
Pages from-to
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UT code for WoS article
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EID of the result in the Scopus database
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