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Record W2054793384 · doi:10.1107/s0108270100014013

A three-dimensional hydrogen-bonded framework in 4,4′-trimethylenedipiperidinium–2,5-dicarboxybenzene-1,4-dicarboxylate–water (1/1/1)

2001· article· en· W2054793384 on OpenAlexaff
C.J. Burchell, G. Ferguson, Alan J. Lough, Christopher Glidewell

Bibliographic record

VenueActa Crystallographica Section C Crystal Structure Communications · 2001
Typearticle
Languageen
FieldChemistry
TopicCrystal structures of chemical compounds
Canadian institutionsUniversity of TorontoUniversity of Guelph
Fundersnot available
KeywordsHydrogen bondIntramolecular forceChemistryMoleculeCrystallographyHydrogenSalt (chemistry)IonStereochemistryPhysical chemistryOrganic chemistry

Abstract

fetched live from OpenAlex

The title compound is a salt, C13H28(N2)(2+).C10H4(O8)(2-).H2O. In the anion, there are two short intramolecular hydrogen bonds [O.O 2.395 (2) and 2.383 (2) A; O.H.O 175 and 172 degrees]. Pairs of anions and pairs of water molecules are linked by further O-H.O hydrogen bonds [O.O 2.756 (2) and 2.980 (2) A; O-H.O 171 and 175 degrees] into cyclic centrosymmetric R(6)(6)(16) aggregates; these aggregates are linked via the cations into a three-dimensional framework by means of four distinct N-H...O hydrogen bonds [N...O 2.787 (2)-3.204 (2) A; N-H...O 148-173 degrees].

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), Research integrity, Insufficient payload (model declined to judge)
Consensus categoriesResearch integrity
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.937
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0010.002
Science and technology studies0.0010.001
Scholarly communication0.0000.001
Open science0.0030.002
Research integrity0.0010.003
Insufficient payload (model declined to judge)0.0040.000

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 head0.253
Teacher spread0.238 · 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 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

Citations0
Published2001
Admission routes1
Has abstractyes

Explore more

Same venueActa Crystallographica Section C Crystal Structure CommunicationsSame topicCrystal structures of chemical compoundsFrench-language works237,207