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Record W4399119564 · doi:10.1139/cjc-2024-0046

A practical synthesis and X-ray crystal structure of (E)-4-(1-naphthylvinyl)pyridine and related compounds

2024· article· en· W4399119564 on OpenAlex

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.
venuePublished in a venue whose home country is Canada.

Bibliographic record

VenueCanadian Journal of Chemistry · 2024
Typearticle
Languageen
FieldChemistry
TopicSynthesis and Reactions of Organic Compounds
Canadian institutionsCarleton University
Fundersnot available
KeywordsChemistryPyridineCrystal structureX-rayCrystallographyCrystal (programming language)StereochemistryOrganic chemistry

Abstract

fetched live from OpenAlex

The synthesis, structure, and photoreactivity of (E)-4-(1-naphthylvinyl)pyridine ((E)-4-1-nvp; 1) and its coordination compounds have been investigated. Synthesis of (1) via Wittig olefination resulted in a challenging isomer separation and purification process. By synthesizing (1) via a Horner–Wadsworth–Emmons reaction, high stereoselectivity and purity were achieved. The crystal structure of (1) revealed significant intramolecular rotation facilitated by CH···π interactions, ultimately preventing olefin stacking in both the solid-state structure of (1) and a cocrystal with a structural isomer. Novel Ag(I) and Zn(II) coordination complexes that utilize (1) as a ligand were also synthesized and fully characterized, facilitating the examination of the relationship between molecular planarity and secondary bonding contributions via Hirshfeld surface analyses. These findings deepen our understanding of intermolecular interactions involving (E)-4-1-nvp and offer insights for designing novel photoresponsive materials capable of solid-state [2 + 2] cycloaddition.

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.

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)0.001
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesInsufficient payload (model declined to judge)
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 score0.067
Threshold uncertainty score0.998

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.001
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 integrity0.0000.001
Insufficient payload (model declined to judge)0.0020.000

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 head0.008
GPT teacher head0.221
Teacher spread0.213 · 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