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Record W2902872296 · doi:10.1107/s2414314618016309

Polar crystal of vanillylformamide through replacement of the alkene by an isosteric formamide group

2018· article· en· W2902872296 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.
fundA Canadian funder is recorded on the work.

Bibliographic record

VenueIUCrData · 2018
Typearticle
Languageen
FieldChemistry
TopicCrystal structures of chemical compounds
Canadian institutionsUniversité de SherbrookeCégep de Sherbrooke
FundersFonds de recherche du Québec – Nature et technologies
KeywordsChemistryvan der Waals forceHydrogen bondFormamideCrystallographyIntermolecular forceMoleculeCrystal structureAlkeneStereochemistryCrystal (programming language)Van der Waals radiusGroup (periodic table)Single crystalOrganic chemistryCatalysis

Abstract

fetched live from OpenAlex

Vanillylformamide [systematic name: N -(4-hydroxy-3-methoxybenzyl)formamide], C 9 H 11 NO 3 , ( II ), has been synthesized from vanillylamine hydrochloride and studied by single-crystal X-ray diffraction. Compound ( II ) and the well known biologically active eugenol compound ( I ) can be considered to be `isosteres' of each other, since they share comparable molecular shape and volume. The product ( II ) crystallizes in the space group P 1. In the crystal, the vanillylformamide molecules are linked mainly by N—H...O, O—H...O and C sp 2 —H...O hydrogen bonds, forming infinite two-dimensional polar sheets. These two-dimensional layers pack in a parallel fashion, constructing a polar three-dimensional network. Except for van der Waals forces and weak C sp 3 —H...O hydrogen bonds, there are no significant intermolecular interactions between the layers. A Cambridge Structural Database search revealed that vanillylamide-related crystals are scarce.

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 score0.103
Threshold uncertainty score1.000

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 science0.0010.001
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0010.000

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 head0.011
GPT teacher head0.249
Teacher spread0.238 · 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