Synthesis, Structure, and Computational Studies of Soluble Conjugated Multidentate Macrocycles.
Bibliographic record
Abstract
Conjugated, shape-persistent macrocycles based on [3 + 3] Schiff-base condensation are of interest\nfor supramolecular materials. In an effort to develop new discotic liquid crystals based on these\ncompounds, a series of macrocycles with peripheral alkoxy groups of varying length have been\nprepared. The synthesis and mechanism of formation have been probed by isolation of oligomeric\nintermediates. A single-crystal X-ray diffraction study of one macrocycle revealed a nonplanar,\nstrongly hydrogen-bonded structure. To our surprise, even with very long substituents, the\nmacrocycles were not liquid crystalline. This has been rationalized by ab initio calculations that\nindicate the macrocycles are undergoing rotation of the dihydroxydiiminobenzene rings that may\nnot allow a stable discotic liquid crystalline phase. These results provide new insight into the\nformation and properties of these large macrocycles and may provide guidance to developing stable\nliquid crystalline materials in the future.
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How this classification was reachedexpand
Full frame distilled prediction
Teacher imitationNot 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.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.001 | 0.000 |
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.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one teacher head, not a consensus.
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".