Structural Versatility of Pyrene-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane) and Pyrene-2,7-bis(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane)
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.
Bibliographic record
Abstract
Three polymorphs of pyrene-2,7-bis(Bpin) 2 ( 1 ) and two of pyrene-2-(Bpin) ( 2 ), where Bpin = 4,4,5,5-tetramethyl-[1,3,2]dioxaborolane, two different 1:1 co-crystals of 1 with toluene, and co-crystals of hexafluorobenzene (HFB) with 1 (of highly unusual 2:1 composition) and 2 (of usual 1:1 composition) were isolated, studied by X-ray diffraction and differential scanning calorimetry, and described using Hirshfeld surfaces and two-dimensional fingerprint plots. Centrosymmetric phases β- and γ- 1 have densities respectively lower and higher than the chiral α- 1; α- and β- 2 have different packing modes, both with Z ′ = 3. Compound 1 is prone to form channel host–guest structures, for example, α- and β- 1· PhMe and 1 ·2HFB. The drastically different stabilities of α- and β- 1· PhMe are discussed. The complex 2· HFB has a mixed-stack packing motif. The structural versatility of 1 and 2 is explained by synthon frustration between structurally incongruent pyrene and Bpin moieties.
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 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 | 0.001 | 0.001 |
| Meta-epidemiology (narrow) | 0.001 | 0.001 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.000 | 0.001 |
| Scholarly communication | 0.000 | 0.001 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.001 | 0.001 |
| Insufficient payload (model declined to judge) | 0.003 | 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 it