{"id":"W2022715016","doi":"10.1107/s0108270100005527","title":"Chains of fused rings in the hydrogen-bonded structure of<i>meso</i>-6,13-diamino-6,13-dimethyl-1,4,8,11-tetraazacyclotetradecane–2,2′-biphenol (1/2)","year":2000,"lang":"en","type":"article","venue":"Acta Crystallographica Section C Crystal Structure Communications","topic":"Synthesis and Characterization of Heterocyclic Compounds","field":"Chemistry","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Guelph; Miller Group (Canada); University of Toronto","funders":"","keywords":"Intramolecular force; Hydrogen bond; Crystallography; Chemistry; Ion; Salt (chemistry); Hydrogen; Stereochemistry; Molecule; Physical chemistry; Organic chemistry","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0002453303,0.0005775728,0.0007631103,0.0005259784,0.0005175712,0.0001029411,0.002648504,0.0005642734,0.0031009],"category_scores_gemma":[0.0001207127,0.000505673,0.0004549479,0.001693786,0.0008154482,0.0003365244,0.0002303288,0.001027879,2.722141e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00010366,"about_ca_system_score_gemma":0.0001028493,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0009250686,"about_ca_topic_score_gemma":0.00477259,"domain_scores_codex":[0.9962944,0.0003789049,0.001415162,0.0006137069,0.0007530261,0.0005447738],"domain_scores_gemma":[0.9949549,0.0007326723,0.000778268,0.003192372,0.0001914769,0.0001502946],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"not_applicable","study_design_scores_codex":[0.00008186229,0.0003452406,0.008800749,0.000136967,0.0001628979,0.000001945462,0.002313701,0.000123363,0.9858384,0.0002186916,0.00007459221,0.00190163],"study_design_scores_gemma":[0.007083278,0.000441957,0.287892,0.0007798378,0.0008251924,0.0007461509,0.008112953,0.00277844,0.1965325,0.007029883,0.4844555,0.003322255],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9945146,0.0004619051,0.00003428576,0.001290687,0.0001080537,0.0003947572,0.0006619043,0.0001418923,0.002391933],"genre_scores_gemma":[0.9979219,0.0005806573,0.0004042091,0.0001397338,0.0001485478,0.00004156849,0.0005871587,0.00007963705,0.00009657312],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.7893058,"threshold_uncertainty_score":0.9997395,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01192797270062183,"score_gpt":0.2306728839212513,"score_spread":0.2187449112206294,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}