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Record W2114487165 · doi:10.1071/ch10356

Mixed [2.2]Cyclophanes of Pyrene and Benzene

2010· article· en· W2114487165 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.

Bibliographic record

VenueAustralian Journal of Chemistry · 2010
Typearticle
Languageen
FieldChemistry
TopicSynthesis and Properties of Aromatic Compounds
Canadian institutionsMemorial University of Newfoundland
Fundersnot available
KeywordsCyclophaneIsomerizationChemistrySupramolecular chemistryAromatizationBiocatalysisValence (chemistry)PyreneCrystallographyComputational chemistryDehydrogenationStereochemistryReaction mechanismCrystal structureOrganic chemistryCatalysis

Abstract

fetched live from OpenAlex

An examination of the literature on [2.2]cyclophanes reveals a loose relationship between the relative sizes of the two ‘half-cyclophanes’ (as measured by the parameter Δd) and the limitations of the dominant general synthetic approaches. Direct coupling methods tend to be successful only for systems with Δd values below 1.0 Å, whereas ring-contraction-based approaches are usually viable for systems with Δd values up to 2.0 Å. For the very few known systems with Δd values greater than 2.0 Å, aromatization-based approaches are the only ones that have been successful. The syntheses of two [2.2]cyclophanes with very large Δd values, [2]paracyclo[2](2,7)pyrenophane (17) (Δd = 4.25 Å) and [2]metacyclo[2](2,7)pyrenophane (18) (Δd = 5.04 Å) are presented here. The syntheses hinge on a valence isomerization/dehydrogenation reaction. The crystallographically determined bend angle, θ, for 18 is 96.1°. Cyclophane 18 undergoes a degenerate conformational flip, the energy barrier for which was determined to be 18.9 kcal mol–1 by DNMR.

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)0.000
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 score0.006
Threshold uncertainty score0.998

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)0.0030.000

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 head0.019
GPT teacher head0.223
Teacher spread0.204 · 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