{"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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0002706162,0.0007928815,0.0009241457,0.0001129338,0.0006387889,0.0002636211,0.0005363922,0.0002804034,0.0002834722],"category_scores_gemma":[0.0003237615,0.0006579178,0.0004565795,0.0005693744,0.0005274648,0.0004274412,0.000243316,0.001604331,0.00003168259],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004306425,"about_ca_system_score_gemma":0.0002411388,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000004809008,"about_ca_topic_score_gemma":0.000001805913,"domain_scores_codex":[0.9958534,0.0001053951,0.001628738,0.0007155965,0.0008712602,0.0008256402],"domain_scores_gemma":[0.9972307,0.0001070071,0.0009451941,0.0005030712,0.0007913008,0.0004227342],"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":[0.0001972252,0.0001877339,0.0001281147,0.0004307975,0.0005002915,0.0000511422,0.0001648976,0.00002749952,0.993291,0.00002460676,0.004335188,0.000661562],"study_design_scores_gemma":[0.001726993,0.00004716002,0.001127668,0.0003463995,0.0003308092,0.001342896,0.0004276473,0.0003545726,0.9926559,0.0002716041,0.0006076459,0.000760703],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9938169,0.004523404,0.00001884048,0.000485454,0.00009189623,0.00009492542,0.00004491414,0.0001459658,0.000777698],"genre_scores_gemma":[0.99617,0.001475206,0.00004042368,0.00006605288,0.001650717,0.000007848457,0.0003113798,0.00009324601,0.0001850847],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003727542,"threshold_uncertainty_score":0.9995872,"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."}}