{"id":"W4295847081","doi":"10.1107/s205698902200888x","title":"Synthesis and crystal structure of 3-phenyl-1,4,2-dithiazole-5-thione","year":2022,"lang":"en","type":"article","venue":"Acta Crystallographica Section E Crystallographic Communications","topic":"Synthesis and Characterization of Heterocyclic Compounds","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"Saint Mary's University; Crandall University","funders":"Natural Sciences and Engineering Research Council of Canada; Saint Mary’s University","keywords":"Chemistry; van der Waals force; Dihedral angle; Stacking; Ring (chemistry); Van der Waals radius; Crystallography; Molecule; Hydrogen bond; Moiety; Crystal structure; Van der Waals strain; Stereochemistry; Organic chemistry","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":[0.0003407754,0.0003225371,0.0006254322,0.0004144056,0.0006937786,0.0007788727,0.001183102,0.0004777168,0.007146226],"category_scores_gemma":[0.0005137136,0.0003011884,0.0001026215,0.0009702283,0.000338536,0.0002808866,0.0002125973,0.0007884856,0.001735492],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001315415,"about_ca_system_score_gemma":0.002192412,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01861663,"about_ca_topic_score_gemma":0.02720941,"domain_scores_codex":[0.9998234,0.00001707943,0.000006323942,0.00003395183,0.00009058115,0.00002875462],"domain_scores_gemma":[0.999861,0.00002753189,0.00002296789,0.000009962396,0.00004270102,0.00003584293],"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":[0.001711965,0.0007573697,0.004896807,0.003000746,0.0001411948,0.002219997,0.00140723,0.02324836,0.6212927,0.04387308,0.1275447,0.1699059],"study_design_scores_gemma":[0.002004669,0.00200453,0.04355069,0.0003908337,0.0002647172,0.003907873,0.00127206,0.07325251,0.2498804,0.007545247,0.6156479,0.0002785581],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8631865,0.01106156,0.02275232,0.002751497,0.0009073449,0.001036534,0.02266662,0.001248744,0.07438879],"genre_scores_gemma":[0.9062748,0.00672357,0.02628428,0.0003865531,0.0001279723,0.0004776663,0.02030074,0.000172122,0.03925217],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01861663,"threshold_uncertainty_score":0.03701651,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01347621443845694,"score_gpt":0.2266458200464681,"score_spread":0.2131696056080111,"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."}}