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Record W1971542978 · doi:10.1021/cg700803k

Crystal Structures of Spiroborates Derived from 2,2′-Dihydroxybiphenyl

2007· article· en· W1971542978 on OpenAlexaff
E. Voisin, Thierry Maris, James D. Wuest

Bibliographic record

VenueCrystal Growth & Design · 2007
Typearticle
Languageen
FieldChemistry
TopicCrystallography and molecular interactions
Canadian institutionsUniversité de Montréal
Fundersnot available
KeywordsBiphenylEnantiomerCrystallographyBoronChemistryCrystal (programming language)Crystal structureBoric acidDiffractionCrystal engineeringStereochemistryOrganic chemistrySupramolecular chemistryPhysicsOptics

Abstract

fetched live from OpenAlex

Salts of bis[[1,1′-biphenyl]-2,2′-diolato- O,O ′] borate ( 4 ) were prepared by the reaction of boric acid with 2,2′-dihydroxybiphenyl in the presence of various cations. Ten salts were crystallized, and their structures were solved by X-ray diffraction. In all cases examined, spiroborate 4 favors enantiomeric ( R,R ) and ( S,S ) structures with a flattened D 2 geometry. Moreover, the crystals analyzed all incorporate the two enantiomers in a 1:1 ratio, even when the cations themselves are chiral and enantiomerically pure. In crystals of certain salts (NH 4 +, NH 2 Me 2 +, NMe 4 +, PPh 4 +, and MBA + ), the packing of spiroborate 4 can be considered to define homochiral layers; in other salts, however, the organization of the anions is helical (NMe 4 + ), columnar (NPr 4 + ), or can be described as either layered or columnar (NBu 4 + and NPent 4 + ). These variations presumably arise because neighboring anions are not positioned reliably by strong directional interactions between them. Derivatives of spiroborate 4 that can engage in such interactions are expected to have well-defined molecular geometries and to serve as effective subunits for engineering crystals and other ordered materials with predetermined structures and properties.

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 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 categoriesMeta-epidemiology (narrow), Insufficient 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 score0.195
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 science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0020.000

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 head0.016
GPT teacher head0.242
Teacher spread0.226 · 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 teacher head, not a consensus.

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

Citations15
Published2007
Admission routes1
Has abstractyes

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