{"id":"W1970918743","doi":"10.1002/chem.200600683","title":"Unexpected Conformational Properties of 1‐Trifluoromethyl‐1‐Silacyclohexane, C<sub>5</sub>H<sub>10</sub>SiHCF<sub>3</sub>: Gas Electron Diffraction, Low‐Temperature NMR Spectropic Studies, and Quantum Chemical Calculations","year":2006,"lang":"en","type":"article","venue":"Chemistry - A European Journal","topic":"Structural and Chemical Analysis of Organic and Inorganic Compounds","field":"Chemistry","cited_by":53,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Memorial University of Newfoundland; Deutsche Forschungsgemeinschaft; Russian Foundation for Basic Research; Deutscher Akademischer Austauschdienst","keywords":"Conformational isomerism; Trifluoromethyl; Chemistry; Cyclohexane; Crystallography; Ring flip; Electron diffraction; Molecular geometry; Solvation; Gas electron diffraction; Physical chemistry; Diffraction; Molecule; Ring (chemistry); Alkyl; Physics","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00004129489,0.0001218569,0.00006286552,0.0001032651,0.0001036509,0.0001148578,0.0001138932,0.0001504995,0.001228155],"category_scores_gemma":[0.00009495174,0.00006170895,0.00004401109,0.00007451259,0.0001376534,0.00009660021,0.00003797172,0.0001189688,0.0001137489],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001477283,"about_ca_system_score_gemma":0.0000874688,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006425725,"about_ca_topic_score_gemma":0.001352487,"domain_scores_codex":[0.9999831,0.000001639144,7.262344e-7,0.000005403325,0.000004312571,0.000004857679],"domain_scores_gemma":[0.9999642,0.00001098893,0.00001085694,0.000003031506,0.000004553843,0.000006306619],"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":[0.0001864881,0.00002074619,0.001790752,0.00009484969,0.000008235997,0.0001630641,0.00008170801,0.002708817,0.9897578,0.0007281372,0.0001865238,0.004272731],"study_design_scores_gemma":[0.0001141798,0.001043054,0.03564421,0.00001793904,0.00003794551,0.0007775314,0.0002327723,0.02813928,0.9286547,0.0006587631,0.004640455,0.00003915772],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9987196,0.0001663797,0.0002968913,0.00001676423,0.000002576921,0.000001646743,0.00008477937,0.000007002982,0.00070433],"genre_scores_gemma":[0.9990143,0.0001086125,0.000432985,0.00001134461,0.000002133302,0.00000337498,0.0001870565,0.000003266572,0.0002369941],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001228155,"threshold_uncertainty_score":0.004108608,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00778642149995757,"score_gpt":0.1947788124576068,"score_spread":0.1869923909576492,"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."}}