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Record W4411642707 · doi:10.1021/acs.cgd.5c00295

Synthesis and X-ray Structures of Bis-Functional Resorcinarene Crown Ethers

2025· article· en· W4411642707 on OpenAlexafffund
Frank Boateng Osei, Sanaz Nadimi, Jas S. Ward, Sarah Nasri, Abd Al‐Aziz A. Abu‐Saleh, Elham Pourian, John F. Trant, Kari Rissanen, Ngong Kodiah Beyeh

Bibliographic record

VenueCrystal Growth & Design · 2025
Typearticle
Languageen
FieldChemistry
TopicMolecular Sensors and Ion Detection
Canadian institutionsUniversity of Windsor
FundersNatural Sciences and Engineering Research Council of CanadaAlliance de recherche numérique du CanadaJyväskylän YliopistoAcademy of FinlandNational Science Foundation
KeywordsChemistryCrown etherMoleculeTetrafluoroborateIntramolecular forceHydrogen bondAcetonitrileDimerSolventResorcinareneHost–guest chemistryEtherCrystallographyCalixareneResorcinolMedicinal chemistryStereochemistrySupramolecular chemistryOrganic chemistryCatalysisIonic liquid

Abstract

fetched live from OpenAlex

High Resolution Image Download MS PowerPoint Slide Two resorcin[4]arene-crowns were synthesized with crown ether substituents as the lower rim functionalities, with either the Crown-6 ( TRC6 ) or Crown-7 ( TRC7 ) moieties being incorporated. X-ray crystallographic data show that both molecules prefer the boat conformation in the solid state. The crown ethers were observed in an askew anti -arrangement in TRC6 and a syn -arrangement in TRC7 . TRC6 crystallized with four DMF and four H 2 O molecules. Two of the DMF solvent molecules are hydrogen bonded to the resorcinolic OHs, and the other two are entrapped as a dimer between two ether moieties from adjacent TRC6 molecules. In TRC7, four intramolecular hydrogen bonds from the same resorcinol OH group to the crown ether oxygens are observed, with O···O contact distances of 2.742(2) Å and 2.872(2) Å and O–H···O angles of 169.8° and 175.4°. Host–guest binding of potassium and rubidium cations as their chloride and tetrafluoroborate salts in highly competitive DMSO shows 1:1 and 1:2 host–guest complexes for TRC6 and TRC7, respectively. More intense NMR signal changes were observed in less competitive acetonitrile solvent with the tetrafluoroborate salts.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.065
Threshold uncertainty score0.575

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0010.000

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.014
GPT teacher head0.218
Teacher spread0.203 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one teacher head, not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designBench or experimental
Domainnot available
GenreEmpirical

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations2
Published2025
Admission routes2
Has abstractyes

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