Adducts of <i>meso</i> and racemic 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane with trigonally trisubstituted benzene carboxylic acids: supramolecular structures in one and two dimensions
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
The meso and racemic forms of 5,5,7,12,12,14-hexamethyl-1,4,8, 11-tetraazacyclotetradecane, C(16)H(36)N(4) (tet-a and tet-b, respectively), form adducts with trigonally trisubstituted benzene carboxylic acids; tet-a-3,5-dinitrobenzoic acid (1/2) (1), tet-a-5-hydroxyisophthalic acid-water (1/1/1) (3) and tet-b-5-hydroxyisophthalic acid-water (1/1/1) (4) are all salts, [C(16)H(38)N(4)](2+).2[C(7)H(3)N(2)O(6)](-) (1) and [C(16)H(38)N(4)](2+).[C(8)H(4)O(5)](2-).H(2)O (3) and (4). The conformations of the [(tet-a)H(2)](2+) and [(tet-b)H(2)](2+) cations are entirely different: [(tet-a)H(2)](2+) is precisely centrosymmetric in (1) and approximately so in (3), while [(tet-b)H(2)](2+) has approximate C(2) symmetry in (4). In each salt the cation forms two intramolecular N-H.N and four intermolecular N-H.O hydrogen bonds. In (1) the supramolecular structure is one-dimensional, a C(2)(2)(13)[R(2)(4)(16)] chain of rings. Compounds (3) and (4) crystallize in space groups P2(1)2(1)2(1) and P2(1)/c, respectively, but the supramolecular structures are very similar: in each, the anions and the water molecules form a C(7)[R(3)(3)(13)] chain of rings, generated in (3) by a 2(1) axis and in (4) by a glide plane. These chains are linked, in both (3) and (4), by cations to form sheets. Adjacent meso cations in (3) are related by a 2(1) axis and adjacent chiral cations in (4) are related by a glide plane.
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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) | 0.001 | 0.000 |
| Bibliometrics | 0.000 | 0.002 |
| Science and technology studies | 0.000 | 0.002 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.001 |
| 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 it