About: 5,11,17,23,29,35-Hexa-tert -butyl-37,38,39,40,41,42-hexakis-(ethoxycarbonylmethoxy)calix[6]arene acetonitrile disolvate

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About: 5,11,17,23,29,35-Hexa-tert -butyl-37,38,39,40,41,42-hexakis-(ethoxycarbonylmethoxy)calix[6]arene acetonitrile disolvate Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	In the title compound, C90H120O18 .2C3HCN, the calix[6]arene has a 1,2,3-alternate conformation and possesses inversion symmetry. It crystallizes as an acetonitrile disolvate, with a half-molecule of calix[6]arene and one molecule of solvent in the asymmetric unit. In the crystal, the two solvent molecules are enclosed in voids between the calix[6]arene molecules. They form weak C—H ... O hydrogen bonds involving an O atom of the lower rim substituent. The cavity of the calix[6]arene itself is enclosed by two opposite phenol rings, which are turned into the cavity due to the presence of a C— H...π interaction. The calix[6]arene molecule exhibits disorder of one substituent on its lower rim [occupancy ratio 0.897 (3):0.103 (3)]. In the title compound, C90H120O18 .2C3HCN, the calix[6]arene has a 1,2,3-alternate conformation and possesses inversion symmetry. It crystallizes as an acetonitrile disolvate, with a half-molecule of calix[6]arene and one molecule of solvent in the asymmetric unit. In the crystal, the two solvent molecules are enclosed in voids between the calix[6]arene molecules. They form weak C—H ... O hydrogen bonds involving an O atom of the lower rim substituent. The cavity of the calix[6]arene itself is enclosed by two opposite phenol rings, which are turned into the cavity due to the presence of a C— H...π interaction. The calix[6]arene molecule exhibits disorder of one substituent on its lower rim [occupancy ratio 0.897 (3):0.103 (3)]. (en)
Title	5,11,17,23,29,35-Hexa-tert -butyl-37,38,39,40,41,42-hexakis-(ethoxycarbonylmethoxy)calix[6]arene acetonitrile disolvate 5,11,17,23,29,35-Hexa-tert -butyl-37,38,39,40,41,42-hexakis-(ethoxycarbonylmethoxy)calix[6]arene acetonitrile disolvate (en)
skos:prefLabel	5,11,17,23,29,35-Hexa-tert -butyl-37,38,39,40,41,42-hexakis-(ethoxycarbonylmethoxy)calix[6]arene acetonitrile disolvate 5,11,17,23,29,35-Hexa-tert -butyl-37,38,39,40,41,42-hexakis-(ethoxycarbonylmethoxy)calix[6]arene acetonitrile disolvate (en)
skos:notation	RIV/68378271:_____/12:00382405!RIV13-AV0-68378271
http://linked.open...avai/predkladatel	Fyzikální ústav AV ČR, v.v.i.
http://linked.open...avai/riv/aktivita	Z
http://linked.open...avai/riv/aktivity	Z(AV0Z10100521)
http://linked.open...iv/cisloPeriodika	5
http://linked.open...vai/riv/dodaniDat	2013
http://linked.open...aciTvurceVysledku	Pojarová, Michaela Dušek, Michal
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Fyzikální ústav AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	183540
http://linked.open...ai/riv/idVysledku	RIV/68378271:_____/12:00382405
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	calix[6]arene; SHELX; crystal structure (en)
http://linked.open.../riv/klicoveSlovo	SHELX calix[6]arene crystal structure
http://linked.open...odStatuVydavatele	DK - Dánské království
http://linked.open...ontrolniKodProRIV	[C91C5993FE95]
http://linked.open...i/riv/nazevZdroje	Acta Crystallographica section E - Structure Reports Online
http://linked.open...in/vavai/riv/obor	BM
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	5 (xsd:int)
http://linked.open...UplatneniVysledku	2012
http://linked.open...v/svazekPeriodika	68
http://linked.open...iv/tvurceVysledku	Císařová, I. Dušek, Michal Makrlík, E. Pojarová, Michaela Budka, J.
http://linked.open...n/vavai/riv/zamer	Physics and technology of nanostructures, surfaces and thin films
issn	1600-5368
number of pages	13 (xsd:int)
http://bibframe.org/vocab/doi	10.1107/S1600536812015735
is http://linked.open...avai/riv/vysledek of	5,11,17,23,29,35-Hexa-tert -butyl-37,38,39,40,41,42-hexakis-(ethoxycarbonylmethoxy)calix[6]arene acetonitrile disolvate

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