{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00006080017,0.0001296112,0.0001349773,0.0001038994,0.0001659848,0.0001466405,0.0001404038,0.0001829474,0.001517833],"category_scores_gemma":[0.0001060321,0.0000896159,0.0001068467,0.0001271667,0.0001631192,0.0001327928,0.00007240837,0.0001589898,0.0002043383],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002375922,"about_ca_system_score_gemma":0.0001265266,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001132938,"about_ca_topic_score_gemma":0.001598694,"domain_scores_codex":[0.9999609,0.000002928977,0.000001315812,0.000007536659,0.0000185622,0.000008773104],"domain_scores_gemma":[0.9999416,0.00001366336,0.00001699162,0.000004570786,0.00001414068,0.000008935009],"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":[0.0002112984,0.00009164771,0.001235136,0.0001937172,0.000008894409,0.0001389137,0.00004718142,0.008464723,0.9846808,0.0006140673,0.0003084244,0.004005188],"study_design_scores_gemma":[0.00003373088,0.001992014,0.01501769,0.0000151424,0.00002364025,0.0001986221,0.0001802706,0.05952495,0.9188895,0.0001442392,0.003958153,0.00002201468],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9981076,0.0003060614,0.0001794622,0.00004639072,0.000004332178,0.000003814554,0.0001314443,0.00001033354,0.001210602],"genre_scores_gemma":[0.9983242,0.0002975058,0.0004814988,0.000009627079,0.000002407091,0.000005118089,0.0001468305,0.000003312599,0.0007293707],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001517833,"threshold_uncertainty_score":0.00507766,"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."}}