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Record W1975612065 · doi:10.1107/s1600536812037233

Dimethyl 7-methoxytetracyclo[6.4.0.0<sup>2,4</sup>.0<sup>3,7</sup>]dodeca-1(12),5,8,10-tetraene-3,4-dicarboxylate

2012· article· en· W1975612065 on OpenAlexaff
Amin Moazeni, Christopher O. Bender, Renè T. Boeré

Bibliographic record

VenueActa Crystallographica Section E Structure Reports Online · 2012
Typearticle
Languageen
FieldChemistry
TopicCrystal structures of chemical compounds
Canadian institutionsUniversity of Lethbridge
Fundersnot available
KeywordsSubstituentDouble bondRing (chemistry)ChemistryBenzenePropaneStereochemistryEne reactionHydrogen bondCrystallographyMedicinal chemistryMoleculeOrganic chemistry

Abstract

fetched live from OpenAlex

The title compound, C(17)H(16)O(5), is a previously unreported substituted semibulvalene cage compound (that is, a tricyclic hydro-carbon formed from one cyclo-propane and two cyclo-pentene rings which also has one double bond fused to a benzene ring). It has one meth-oxy substituent attached to the bridgehead C atom that links only the two cyclo-pentene rings and two methyl carboxyl-ate groups located on the C atom shared by all three non-benzene rings and that shared only between the cyclo-propane and the cyclo-pentene rings. The stereochemistry of the two enanti-omers (racemate) that assemble in each unit cell is RRRS and SSSR. In the crystal, mol-ecules are linked via C-H⋯O hydrogen bonds and C-H⋯π inter-actions, forming double-layered sheets lying perpendicular to the a axis.

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)0.001
metaresearch head score (Gemma)0.002
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Research integrity, Insufficient payload (model declined to judge)
Consensus categoriesMeta-epidemiology (narrow), Research integrity
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Not applicable · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.964
Threshold uncertainty score0.999

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.002
Meta-epidemiology (narrow)0.0020.002
Meta-epidemiology (broad)0.0020.002
Bibliometrics0.0010.002
Science and technology studies0.0010.001
Scholarly communication0.0000.001
Open science0.0010.001
Research integrity0.0020.004
Insufficient payload (model declined to judge)0.0080.000

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 head0.010
GPT teacher head0.249
Teacher spread0.240 · 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; both teacher heads agree on what is shown here.

Study designNot applicable
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

Citations1
Published2012
Admission routes1
Has abstractyes

Explore more

Same venueActa Crystallographica Section E Structure Reports OnlineSame topicCrystal structures of chemical compoundsFrench-language works237,207