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Record W1993259613 · doi:10.1107/s0108768103005196

The 1:1 adduct of triphenylsilanol and 4,4′-bipyridyl, and three pairwise-concomitant triclinic polymorphs of the 4:1 adduct having <i>Z</i>′ = 0.5, 1 and 4

2003· article· en· W1993259613 on OpenAlexaff
K.F. Bowes, George Ferguson, Alan J. Lough, Christopher Glidewell

Bibliographic record

VenueActa Crystallographica Section B Structural Science · 2003
Typearticle
Languageen
FieldChemistry
TopicCrystallography and molecular interactions
Canadian institutionsUniversity of TorontoUniversity of Guelph
Fundersnot available
KeywordsTriclinic crystal systemSilanolChemistryAdductHydrogen bondCrystallographyMoleculeStereochemistryCrystal structureOrganic chemistry

Abstract

fetched live from OpenAlex

Crystallization from methanol solution of mixtures of triphenylsilanol and 4,4'-bipyridyl has given a 1:1 adduct (I), Ph(3)SiOH.C(10)H(8)N(2), and three polymorphic 4:1 adducts (II)-(IV), (Ph(3)SiOH)(4).C(10)H(8)N(2). In (I), the components are linked by a single O-H...N hydrogen bond and by a number of C-H...pi(arene) hydrogen bonds to form a continuous three-dimensional structure. Compounds (II)-(IV) are all triclinic, space group P-1, with Z' values of 0.5, 1 and 4, respectively. The basic hydrogen-bonded aggregate is the same in each of (II)-(IV), having a pair of silanol molecules linked to the bipyridyl via O-N...N hydrogen bonds and a further pair of silanol molecules linked to the first pair via O-H...O hydrogen bonds. In (II) there is just one such aggregate lying across a centre of inversion (Z' = 0.5) and in (III) there are two such aggregates, both lying across centres of inversion (Z' = 2 x 0.5 = 1). In (IV) there are six independent aggregates of this type, four of which lie across centres of inversion and two of which lie in general positions, so that Z' = (4 x 0.5) + 2 = 4. While the components in (I) are fully ordered, each of (II)-(IV) exhibits extensive disorder involving both the bipyridyl units and the phenyl rings of the silanol components.

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 score0.005
Threshold uncertainty score0.016

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)0.0050.001

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 head0.009
GPT teacher head0.230
Teacher spread0.222 · 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

Citations20
Published2003
Admission routes1
Has abstractyes

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