{"id":"W4280645160","doi":"10.1039/d2cc01476a","title":"Bis[cyclic (alkyl)(amino)carbene] isomers: Stable <i>trans</i>-bis(CAAC) <i>versus</i> facile olefin formation for <i>cis</i>-bis(CAAC)","year":2022,"lang":"en","type":"article","venue":"Chemical Communications","topic":"N-Heterocyclic Carbenes in Organic and Inorganic Chemistry","field":"Chemistry","cited_by":7,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"Natural Sciences and Engineering Research Council of Canada; Horizon 2020 Framework Programme; Canada First Research Excellence Fund","keywords":"Carbene; Chemistry; Deprotonation; Olefin fiber; Rhodium; Alkyl; Ligand (biochemistry); Medicinal chemistry; Iridium; Cis–trans isomerism; Catalysis; Stereochemistry; Organic chemistry; Ion","routes":{"ca_aff":true,"ca_fund":true,"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":[0.0000848163,0.0002218287,0.00009392674,0.0001041546,0.0001115908,0.0001878261,0.0002573458,0.0002065457,0.002224222],"category_scores_gemma":[0.0001617699,0.0001071603,0.00006297778,0.0001161909,0.0001552745,0.0001876544,0.0001315082,0.0003033254,0.0003251391],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002162597,"about_ca_system_score_gemma":0.0001624516,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0009449777,"about_ca_topic_score_gemma":0.002046885,"domain_scores_codex":[0.9998956,0.000012053,0.000004519167,0.00002579893,0.00002775428,0.00003429544],"domain_scores_gemma":[0.9999115,0.00001162343,0.00002653734,0.000007796706,0.00001646984,0.00002594875],"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":[0.0001305865,0.00001285293,0.00007797127,0.00003091116,0.000003379487,0.00003602524,0.00002701271,0.00006895485,0.9978293,0.0002895774,0.0001114773,0.001382013],"study_design_scores_gemma":[0.00001057218,0.0002289949,0.0006295006,0.00000241518,0.000006106512,0.0001055812,0.00002217798,0.0002959912,0.9966718,0.00002660919,0.001994122,0.000006109092],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9873387,0.0004840887,0.001913572,0.00004435314,0.00002008365,0.00002519222,0.0002588931,0.0001156857,0.009799287],"genre_scores_gemma":[0.9962519,0.0001435313,0.001118395,0.00002771646,0.000003251097,0.00001507406,0.0001837634,0.0000245127,0.002231987],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002224222,"threshold_uncertainty_score":0.007440686,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03594666210371853,"score_gpt":0.2670099885354284,"score_spread":0.2310633264317099,"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."}}