MétaCan
Menu
Back to cohort
Record W2060863556 · doi:10.1021/cg034043d

Molecular Tectonics. Hydrogen-Bonded Networks Built from Tetraphenols Derived from Tetraphenylmethane and Tetraphenylsilane

2003· article· en· W2060863556 on OpenAlexaff
Jean‐Hugues Fournier, Thierry Maris, Michel Simard, James D. Wuest

Bibliographic record

VenueCrystal Growth & Design · 2003
Typearticle
Languageen
FieldChemistry
TopicCrystallography and molecular interactions
Canadian institutionsUniversité de Montréal
Fundersnot available
KeywordsHydrogen bondMoleculeCrystallographyChemistrySilaneSupramolecular chemistryIntermolecular forceAcceptorHydrogenStereochemistryCrystal structureOrganic chemistry

Abstract

fetched live from OpenAlex

Tetrakis(3-hydroxyphenyl)silane ( 1 ), tetrakis(4-hydroxyphenyl)methane ( 2 ), and tetrakis(4-hydroxyphenyl)silane ( 3 ), in which phenolic hydroxyl groups are attached to tetrahedral tetraphenylsilyl and tetraphenylmethyl cores, produce a series of hydrogen-bonded networks when crystallized from CH 3 COOC 2 H 5 . Each hydroxyl group in meta -substituted tetraphenol 1 participates in two intermolecular hydrogen bonds as both donor and acceptor, producing helical chains of hydrogen bonds running along the c axis. Each molecule of tetraphenol 1 is linked to four symmetrically oriented neighbors by a total of eight hydrogen bonds, thereby creating a diamondoid network. No interpenetration is observed, and no significant volume remains for the inclusion of guests. The hydrogen-bonded networks derived from para -substituted analogues 2 and 3 are markedly different. Each molecule of tetraphenol 2 is hydrogen-bonded to six neighboring tetraphenols, and the resulting network defines zigzag channels that run parallel to the c axis, measure about 3.3 × 4.4 Å at the narrowest point, and include CH 3 COOC 2 H 5 as guest. Approximately 28% of the volume of crystals of tetraphenol 2 is available for inclusion. Tetraphenol 3 crystallizes as a monohydrate, and H 2 O is incorporated as a structural element in the resulting network. Each molecule of tetraphenol 3 forms hydrogen bonds with two molecules of H 2 O and four unsymmetrically oriented neighboring molecules of tetraphenol 3, producing a structure that is closely packed. The variety of structures obtained from compounds 1 − 3 under similar conditions shows that the hydroxyl group of phenols is not a highly predictable director of supramolecular assembly.

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.

How this classification was reachedexpand

Full frame machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
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 score0.002
Threshold uncertainty score0.005

Distilled classifier scores by category (both heads)

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 science0.0000.000
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 head0.014
GPT teacher head0.221
Teacher spread0.208 · 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

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designBench or experimental
Domainnot available
GenreEmpirical

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".

Quick stats

Citations50
Published2003
Admission routes1
Has abstractyes

Explore more

Same venueCrystal Growth & DesignSame topicCrystallography and molecular interactionsFrench-language works237,207