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Record W4242860100 · doi:10.1107/s1600536807066007

<i>trans</i>-Cyclohexane-1,4-diyl bis(4-nitrophenyl) dicarbonate

2007· article· en· W4242860100 on OpenAlexafffund
Syed Nawazish Ali, Sabira Begum, Mitchell A. Winnik, Alan J. Lough

Bibliographic record

VenueActa Crystallographica Section E Structure Reports Online · 2007
Typearticle
Languageen
FieldChemistry
TopicCrystal structures of chemical compounds
Canadian institutionsUniversity of Toronto
FundersNatural Sciences and Engineering Research Council of CanadaUniversity of Toronto
KeywordsCyclohexaneChemistryBenzeneRing (chemistry)Dihedral angleHydrogen bondNitroCrystallographyCrystal (programming language)Medicinal chemistryStereochemistryMoleculeOrganic chemistry

Abstract

fetched live from OpenAlex

In the title crystal structure, C20H18N2O10, there are two independent mol­ecules, both of which lie on crystallographic inversion centres. In one mol­ecule the 4-nitro­phenyl dicarbonate groups are substituted in equatorial (Aeq) positions of the chair-form cyclo­hexane ring while in the other mol­ecule the substitution is axial (Bax). The dihedral angles between the atoms of the symmetry-unique carbonate group (O=CO2—) and benzene ring for each mol­ecule are 47.3 (1)° for Aeq and 11.7 (2)° for Bax. In Bax, this facilitates the formation of a weak intra­molecular C—H⋯O hydrogen bond, while the packing is stabilized by weak inter­molecular C—H⋯O inter­actions.

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

Direct model labels (unvalidated)

Per-model category and study-design labels from the labeling rounds. They are machine output, unvalidated, and the disagreement between models ships as data. No study design here is MEDLINE-validated yet.

Model armCategoriesStudy designConfidence
gemmano category
Domain: not available · Genre: Empirical
About the Canadian research system: no · About a Canadian topic: no
Not applicablelow
gptno category
Domain: not available · Genre: Empirical
About the Canadian research system: no · About a Canadian topic: no
Bench or experimentalhigh
models splitAgreement compares identical category sets and study designs across arms.

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: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.989
Threshold uncertainty score0.999

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0010.001
Science and technology studies0.0000.001
Scholarly communication0.0000.000
Open science0.0010.000
Research integrity0.0010.002
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 head0.006
GPT teacher head0.231
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

Labeled directly by 2 models reading the full record.

The models applied no category: nothing in the taxonomy fit this work.

The models disagree on parts of this classification; every voice is preserved in the section at the end of the page.

Study designNot applicable · Bench 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

Citations0
Published2007
Admission routes2
Has abstractyes

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