Engineering Hydrogen-Bonded Molecular Crystals Built from\nDerivatives of Hexaphenylbenzene and Related Compounds
Bibliographic record
Abstract
Hexakis[4-(2,4-diamino-1,3,5-triazin-6-yl)phenyl]benzene (<b>4</b>) incorporates a disc-shaped hexaphenylbenzene core and six peripheral diaminotriazine groups that can engage in hydrogen bonding according\nto established motifs. Under all conditions examined, compound <b>4</b> crystallizes as planned to give closely\nrelated noninterpenetrated three-dimensional networks built from sheets in which each molecule has six\nhydrogen-bonded neighbors. In the structure of compound <b>4</b>, the number of hydrogen bonds per molecule\nand the percentage of volume accessible to guests approach the highest values so far observed in molecular\nnetworks. Analogue <b>5</b> (which has the same hexaphenylbenzene core but only four diaminotriazine groups\nat the 1,2,4,5-positions) and analogue <b>7</b> (in which the two unsubstituted phenyl groups of compound <b>5</b> are\nreplaced by methyl groups) crystallize according to a closely similar pattern. Analogues with flatter\npentaphenylbenzene or tetraphenylbenzene cores crystallize differently, underscoring the importance of\nmaintaining a consistent molecular shape in attempts to engineer crystals with predetermined properties.
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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) | 0.061 | 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".