{"id":"W2013458582","doi":"10.3390/cryst1040229","title":"The Crystal and Molecular Structure of (2Z)-2-[3-(4-Methoxybenzoyl)-4,4-dimethyl-1,2-oxazolidin-2-ylidene]-1-(4-methoxyphenyl)ethanone","year":2011,"lang":"en","type":"article","venue":"Crystals","topic":"Synthesis and Reactivity of Sulfur-Containing Compounds","field":"Chemistry","cited_by":6,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto; Acadia University; Toronto Metropolitan University","funders":"Natural Sciences and Engineering Research Council of Canada; Acadia University","keywords":"Chemistry; Intramolecular force; Molecule; Toluene; Amide; Crystal structure; Crystal (programming language); Oxazoline; Orthorhombic crystal system; Crystallography; Density functional theory; Stereochemistry; Computational chemistry; 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":[0.0003945668,0.0002670438,0.0005759732,0.0003575237,0.0007158428,0.0009879454,0.001365019,0.0007695789,0.004398089],"category_scores_gemma":[0.00067432,0.000346419,0.0001157645,0.0009085667,0.0004969453,0.0003989839,0.0002927592,0.001065225,0.0009256093],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008764087,"about_ca_system_score_gemma":0.001082037,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.006190513,"about_ca_topic_score_gemma":0.004491767,"domain_scores_codex":[0.9997243,0.00005630167,0.00001038241,0.00005489473,0.0001172095,0.00003694583],"domain_scores_gemma":[0.9997589,0.00007879825,0.00006044974,0.00001441553,0.00005077065,0.00003665196],"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":[0.003392059,0.0009275911,0.009108183,0.003896042,0.0001805517,0.002239385,0.001358711,0.03196587,0.7329049,0.02395799,0.06645665,0.123612],"study_design_scores_gemma":[0.003213249,0.003916906,0.05292303,0.0006266221,0.0003799023,0.004712387,0.002676443,0.1451791,0.3485707,0.006209384,0.4312449,0.0003474065],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9402806,0.0112931,0.008974332,0.002050248,0.0003039567,0.0002208855,0.01203764,0.000680208,0.02415898],"genre_scores_gemma":[0.949975,0.005842113,0.01736562,0.0004142645,0.0001141933,0.0002676627,0.01169705,0.0001339505,0.01419023],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.006190513,"threshold_uncertainty_score":0.01471305,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01988104468605194,"score_gpt":0.2348421963783599,"score_spread":0.214961151692308,"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."}}