{"id":"W2118206739","doi":"10.1021/jo0206059","title":"Nonplanar Aromatic Compounds. 8.<sup>1</sup>Synthesis, Crystal Structures, and Aromaticity Investigations of the 1,<i>n</i>-Dioxa[<i>n</i>](2,7)pyrenophanes. How Does Bending Affect the Cyclic π-Electron Delocalization of the Pyrene System?","year":2003,"lang":"en","type":"article","venue":"The Journal of Organic Chemistry","topic":"Synthesis and Properties of Aromatic Compounds","field":"Chemistry","cited_by":109,"is_retracted":false,"has_abstract":true,"ca_institutions":"Memorial University of Newfoundland","funders":"","keywords":"Aromaticity; Chemistry; Pyrene; Planarity testing; Delocalized electron; Crystallography; Moiety; Crystal structure; Crystal (programming language); Computational chemistry; Stereochemistry; Molecule; 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00005761088,0.0001634942,0.00007666619,0.00008546794,0.0001356677,0.000101967,0.0001662252,0.0001302355,0.001922668],"category_scores_gemma":[0.0001511408,0.00007925571,0.00006287319,0.0001079758,0.000166057,0.0001866469,0.0001062546,0.0001888959,0.0002342787],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001464286,"about_ca_system_score_gemma":0.0001396663,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003812107,"about_ca_topic_score_gemma":0.00112617,"domain_scores_codex":[0.9999609,0.000006134358,0.000001906325,0.000008711799,0.00001317293,0.000009154849],"domain_scores_gemma":[0.9999123,0.00001652416,0.00004097061,0.000008540503,0.0000109658,0.00001074669],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0001331485,0.00002686133,0.0006147807,0.0001377707,0.00000459342,0.0001133409,0.00004081895,0.000449219,0.990884,0.0009437085,0.0001575986,0.006494218],"study_design_scores_gemma":[0.00001766629,0.0005779405,0.002938323,0.000006715595,0.000008243749,0.0003497057,0.00003541309,0.0006382152,0.9888544,0.0002350804,0.006332984,0.000005364627],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9909009,0.001151628,0.002260376,0.00006518148,0.00001416856,0.00002548503,0.0002925949,0.00003088351,0.005258748],"genre_scores_gemma":[0.9912056,0.0007876335,0.00488822,0.0000330195,0.000006162878,0.0000225074,0.0005156486,0.000009893973,0.002531385],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001922668,"threshold_uncertainty_score":0.006431937,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0080190718118028,"score_gpt":0.1877179538560464,"score_spread":0.1796988820442436,"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."}}