{"id":"W4248255427","doi":"10.1002/ange.201904817","title":"Halogen Bonding Helicates Encompassing Iodonium Cations","year":2019,"lang":"en","type":"article","venue":"Angewandte Chemie","topic":"Crystallography and molecular interactions","field":"Chemistry","cited_by":21,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Natural Sciences and Engineering Research Council of Canada; Nemzeti Kutatási Fejlesztési és Innovációs Hivatal; Svenska Forskningsrådet Formas","keywords":"Chemistry; Halogen; van der Waals force; Ion; Crystallography; Halogen bond; Nuclear magnetic resonance spectroscopy; Solid-state; Aryl; Van der Waals radius; Helix (gastropod); Molecule; Spectroscopy; Stereochemistry; Computational chemistry; Physical chemistry; Organic chemistry; 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":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.00004140966,0.0001365062,0.0001354626,0.0000646455,0.0001294686,0.00006540269,0.0001653354,0.00009291386,0.002110111],"category_scores_gemma":[0.00002268096,0.0001415856,0.0001562871,0.0001530232,0.00003866117,0.0001106297,0.00005086998,0.0001803271,0.0001434197],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00005597567,"about_ca_system_score_gemma":0.00003110657,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0000742236,"about_ca_topic_score_gemma":0.00002243372,"domain_scores_codex":[0.9992089,0.000004521793,0.0001644367,0.0002620496,0.0001181276,0.0002420199],"domain_scores_gemma":[0.9993755,0.00005874646,0.00007156236,0.0003635514,0.00005207402,0.00007860343],"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":[0.000005545504,0.00004501728,0.003114852,0.00004327569,0.00005063549,0.000003642111,0.0001772937,0.000006260449,0.9930109,0.0004488253,0.002957583,0.000136171],"study_design_scores_gemma":[0.0001644214,0.000004254684,0.00013173,0.00004451459,0.00002706972,0.00002193227,0.0002982131,0.000008825335,0.8176657,0.0001592289,0.181329,0.000145163],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7676694,0.0004683844,0.00009858306,0.000589347,0.0001626674,0.00006055371,0.00004063739,0.000164664,0.2307458],"genre_scores_gemma":[0.9912031,0.00001956005,0.0002791584,0.0001367856,0.0001226159,0.00002956438,0.0001745475,0.00002292286,0.008011801],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.2235337,"threshold_uncertainty_score":0.9988021,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0132092029823314,"score_gpt":0.2463208619491253,"score_spread":0.2331116589667939,"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."}}