{"id":"W2571283041","doi":"10.1002/cplu.201600512","title":"A Synthetic, X‐ray, NMR Spectroscopy and DFT Study of β‐Naphthil Dihydrazone, Di(β‐naphthyl)acetylene, Tetra(β‐naphthyl)cyclopentadienone, and Hexa(β‐naphthyl)‐benzene: C<sub>6</sub>(C<sub>10</sub>H<sub>7</sub>)<sub>6</sub> Is a Disordered Molecular Propeller","year":2017,"lang":"en","type":"article","venue":"ChemPlusChem","topic":"Synthesis and Properties of Aromatic Compounds","field":"Chemistry","cited_by":7,"is_retracted":false,"has_abstract":true,"ca_institutions":"McMaster University","funders":"Science Foundation Ireland","keywords":"HEXA; Acetylene; Chemistry; Benzene; Conformational isomerism; Tetra; Nuclear magnetic resonance spectroscopy; Molecule; Density functional theory; Yield (engineering); Decarbonylation; Crystallography; Spectroscopy; Cycloaddition; Photochemistry; Medicinal chemistry; Computational chemistry; Stereochemistry; Materials science; 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","sts","scholarly_communication","research_integrity"],"consensus_categories":["metaepi_narrow"],"category_scores_codex":[0.001509568,0.003409732,0.004039553,0.0006549475,0.002369315,0.001625542,0.003382434,0.00140843,0.0001909604],"category_scores_gemma":[0.001116083,0.003251508,0.001183318,0.0008408444,0.001990952,0.001571888,0.003125013,0.001966753,0.0002735508],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004948572,"about_ca_system_score_gemma":0.0005734598,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002092371,"about_ca_topic_score_gemma":0.0004159068,"domain_scores_codex":[0.9856502,0.0004125532,0.003298301,0.004661595,0.002699243,0.003278045],"domain_scores_gemma":[0.9877942,0.0007900323,0.002566849,0.006446968,0.0007583745,0.001643605],"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":[0.001398763,0.003446905,0.004327207,0.001889825,0.001923065,0.0003138753,0.003482798,0.00002179738,0.9576182,0.00003901803,0.003136548,0.02240199],"study_design_scores_gemma":[0.007953006,0.001065877,0.005655235,0.001747642,0.001090504,0.0002649763,0.002640376,0.0005855182,0.9732111,0.000540074,0.001508877,0.003736805],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9819834,0.004359054,0.00009879666,0.001002031,0.0004337117,0.003160704,0.0003637509,0.0005232113,0.008075403],"genre_scores_gemma":[0.9925712,0.003967556,0.0004092563,0.0002618913,0.0005731226,0.001041161,0.0001666918,0.0008236493,0.0001854771],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01866518,"threshold_uncertainty_score":0.9998879,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01276042372579798,"score_gpt":0.2272884496787815,"score_spread":0.2145280259529835,"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."}}