<HashMap><database>biostudies-literature</database><scores/><additional><omics_type>Unknown</omics_type><volume>72(Pt 7)</volume><submitter>Bengiat R</submitter><pubmed_abstract>The title compound, [Cs(CH3COO)(C28H16O8)(C2H5OH)]·C2H5OH, is the product of the complexation between one vasarene analogue [1], bis ninhydrin naphthalene-1,3-diol and CsF, where the F(-) ion has reacted with residual acetic acid (AcOH), to form a [1]·CsOAc complex. The inter-molecular inter-actions with the multiple oxygen-containing functional groups of the ligand, as well as O-H⋯O hydrogen bonds involving the ethanol solvent mol-ecules, stabilize the complex, forming a chain along [100]. Additional parallel-displaced π-π stacking, with an inter-planar distance of 3.669 (1) Å, connect several unit cells in a three-dimensional supra-molecular structure, though, the larger size of AcO(-) (1.60 Å) compared to F(-) (1.33 Å) prevents the tight packing that was once achieved with other vasaren</pubmed_abstract><journal>Acta crystallographica. Section E, Crystallographic communications</journal><pagination>884-7</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC4992898</full_dataset_link><repository>biostudies-literature</repository><pubmed_title>Crystal structure of (acetato-κO)(ethanol-κO)[(9S,17S,21S,29S)-9,17,21,29-tetra-hydroxy-18,30-dioxa-octa-cyclo-[18.10.0.0(2,7).0(8,19).0(9,17).0(11,16).0(21,29).0(23,28)]triaconta-1,3,5,7,11(16),12,14,19,23(28),24,26-undeca-ene-10,22-dione-κ(3) O (18),O (21),O (22)]caesium ethanol monosolvate.</pubmed_title><pmcid>PMC4992898</pmcid><pubmed_authors>Almog J</pubmed_authors><pubmed_authors>Bengiat R</pubmed_authors><pubmed_authors>Klein A</pubmed_authors><pubmed_authors>Bogoslavsky B</pubmed_authors><pubmed_authors>Yardeni G</pubmed_authors><pubmed_authors>Zilbermann I</pubmed_authors><pubmed_authors>Cohen S</pubmed_authors><pubmed_authors>Gil M</pubmed_authors></additional><is_claimable>false</is_claimable><name>Crystal structure of (acetato-κO)(ethanol-κO)[(9S,17S,21S,29S)-9,17,21,29-tetra-hydroxy-18,30-dioxa-octa-cyclo-[18.10.0.0(2,7).0(8,19).0(9,17).0(11,16).0(21,29).0(23,28)]triaconta-1,3,5,7,11(16),12,14,19,23(28),24,26-undeca-ene-10,22-dione-κ(3) O (18),O (21),O (22)]caesium ethanol monosolvate.</name><description>The title compound, [Cs(CH3COO)(C28H16O8)(C2H5OH)]·C2H5OH, is the product of the complexation between one vasarene analogue [1], bis ninhydrin naphthalene-1,3-diol and CsF, where the F(-) ion has reacted with residual acetic acid (AcOH), to form a [1]·CsOAc complex. The inter-molecular inter-actions with the multiple oxygen-containing functional groups of the ligand, as well as O-H⋯O hydrogen bonds involving the ethanol solvent mol-ecules, stabilize the complex, forming a chain along [100]. Additional parallel-displaced π-π stacking, with an inter-planar distance of 3.669 (1) Å, connect several unit cells in a three-dimensional supra-molecular structure, though, the larger size of AcO(-) (1.60 Å) compared to F(-) (1.33 Å) prevents the tight packing that was once achieved with other vasaren</description><dates><release>2016-01-01T00:00:00Z</release><publication>2016 Jul</publication><modification>2025-04-21T15:22:49.155Z</modification><creation>2019-03-27T02:21:11Z</creation></dates><accession>S-EPMC4992898</accession><cross_references><pubmed>27555923</pubmed><doi>10.1107/S2056989016008860</doi></cross_references></HashMap>