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Statements

Subject Item
n2:RIV%2F70883521%3A28110%2F13%3A43869818%21RIV14-MSM-28110___
rdf:type
n17:Vysledek skos:Concept
dcterms:description
The conformation of the title compound, C27H34O, is stabilized by a weak intramolecular C - H...π interaction. The dihedral angle between the benzene rings is 54.79(4)°. The adamantane cage consists of three fused cyclohexane rings in classical chair conformations, with C - C - C angles in the range 107.75(10)-111.35(9)°. Although the molecule contains a hydroxy group as a conceivable hydrogen-bond donor, this group is sterically hindered by bulky substituents and no hydrogen bonds are observed in the crystal structure. The conformation of the title compound, C27H34O, is stabilized by a weak intramolecular C - H...π interaction. The dihedral angle between the benzene rings is 54.79(4)°. The adamantane cage consists of three fused cyclohexane rings in classical chair conformations, with C - C - C angles in the range 107.75(10)-111.35(9)°. Although the molecule contains a hydroxy group as a conceivable hydrogen-bond donor, this group is sterically hindered by bulky substituents and no hydrogen bonds are observed in the crystal structure.
dcterms:title
2-(Adamantan-1-yl)-1,3-bis(4-methylphenyl)propan-2-ol 2-(Adamantan-1-yl)-1,3-bis(4-methylphenyl)propan-2-ol
skos:prefLabel
2-(Adamantan-1-yl)-1,3-bis(4-methylphenyl)propan-2-ol 2-(Adamantan-1-yl)-1,3-bis(4-methylphenyl)propan-2-ol
skos:notation
RIV/70883521:28110/13:43869818!RIV14-MSM-28110___
n17:predkladatel
n18:orjk%3A28110
n5:aktivita
n11:S
n5:aktivity
S
n5:cisloPeriodika
1
n5:dodaniDat
n15:2014
n5:domaciTvurceVysledku
n12:7394292 n12:2956241
n5:druhVysledku
n9:J
n5:duvernostUdaju
n13:S
n5:entitaPredkladatele
n19:predkladatel
n5:idSjednocenehoVysledku
119683
n5:idVysledku
RIV/70883521:28110/13:43869818
n5:jazykVysledku
n8:eng
n5:klicovaSlova
mean (C–C) = 0.002 A° R factor = 0.035, wR factor = 0.094, data-to-parameter ratio = 14.2.; single-crystal X-ray study, T = 120 K
n5:klicoveSlovo
n7:single-crystal%20X-ray%20study n7:wR%20factor%20%3D%200.094 n7:mean%20%28C%E2%80%93C%29%20%3D%200.002%20A%C2%B0%20R%20factor%20%3D%200.035 n7:data-to-parameter%20ratio%20%3D%2014.2. n7:T%20%3D%20120%20K
n5:kodStatuVydavatele
DK - Dánské království
n5:kontrolniKodProRIV
[9BAA87D5226D]
n5:nazevZdroje
Acta Crystallographica Section E - Structure Reports Online
n5:obor
n6:CC
n5:pocetDomacichTvurcuVysledku
2
n5:pocetTvurcuVysledku
3
n5:rokUplatneniVysledku
n15:2013
n5:svazekPeriodika
69
n5:tvurceVysledku
Bartoš, Petr Babjaková, Eva Vícha, Robert
s:issn
1600-5368
s:numberOfPages
9
n16:doi
10.1107/S1600536812050647
n4:organizacniJednotka
28110