{"id":"W2256872463","doi":"10.1107/s160053681201029x","title":"1-(4-Chlorophenyl)-2-[4-hydroxy-3-(3-methoxybenzoyl)-1,1-dioxo-2<i>H</i>-1λ<sup>6</sup>,2-benzothiazin-2-yl]ethanone","year":2012,"lang":"en","type":"article","venue":"Acta Crystallographica Section E Structure Reports Online","topic":"Phenothiazines and Benzothiazines Synthesis and Activities","field":"Biochemistry, Genetics and Molecular Biology","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"","keywords":"Intramolecular force; Dihedral angle; Intermolecular force; Ring (chemistry); Chemistry; Hydrogen bond; Molecule; Crystallography; Crystal (programming language); Crystal structure; Thiazine; Stereochemistry; Medicinal chemistry; Organic chemistry","routes":{"ca_aff":true,"ca_fund":false,"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":[0.00008632998,0.0002008678,0.000276561,0.0001071375,0.0001841156,0.0001164952,0.0003656824,0.000160632,0.003770612],"category_scores_gemma":[0.00009655914,0.0001302644,0.00007373584,0.0001781914,0.0002053228,0.0001579746,0.0001905586,0.0003139219,0.001174348],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002197534,"about_ca_system_score_gemma":0.0003512579,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0009432731,"about_ca_topic_score_gemma":0.002535664,"domain_scores_codex":[0.9999388,0.00001048063,0.000002741955,0.00001067153,0.0000128935,0.00002443305],"domain_scores_gemma":[0.999956,0.000006127651,0.00001345668,0.000005309962,0.000005629895,0.00001352601],"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":[0.0007644047,0.00006766062,0.0003717259,0.0002990975,0.00001105425,0.000236835,0.00005840559,0.0004596718,0.9874428,0.0006662388,0.0007673288,0.008854688],"study_design_scores_gemma":[0.0003645665,0.003633212,0.01187113,0.00004084982,0.00002815966,0.001094781,0.0001447541,0.00192546,0.9306911,0.0002061137,0.04996827,0.00003166178],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9591703,0.008132088,0.008053151,0.0005105127,0.0002435635,0.000118751,0.000910323,0.0004602098,0.02240106],"genre_scores_gemma":[0.9834318,0.002941294,0.004434701,0.0001232086,0.0000404003,0.00005884716,0.0004865258,0.00002081556,0.008462298],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003770612,"threshold_uncertainty_score":0.01261395,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00874065067146355,"score_gpt":0.2383612824556371,"score_spread":0.2296206317841736,"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."}}