{"id":"W1981576029","doi":"10.1107/s1600536809019011","title":"Triclinic modification of<i>N</i>-[(1,1-dimethylethoxy)carbonyl]-3-[(<i>R</i>)-prop-2-en-1-ylsulfinyl]-(<i>R</i>)-alanine ethyl ester at 120 (1) K","year":2009,"lang":"en","type":"article","venue":"Acta Crystallographica Section E Structure Reports Online","topic":"Crystal structures of chemical compounds","field":"Chemistry","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto; University of Guelph","funders":"","keywords":"Triclinic crystal system; Monoclinic crystal system; Crystallography; Hydrogen bond; Chemistry; Crystal (programming language); Crystal structure; Unit (ring theory); Bioinformatics; Molecule; Mathematics; Computer science; Organic chemistry; Biology","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":[0.0003245101,0.0006804843,0.001698519,0.0004035562,0.001180179,0.001774216,0.002567068,0.0005737881,0.01232459],"category_scores_gemma":[0.0006738568,0.0003279934,0.0002111925,0.001250862,0.0009212238,0.000584373,0.0005812794,0.001749222,0.003998666],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00117505,"about_ca_system_score_gemma":0.002771709,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.009613982,"about_ca_topic_score_gemma":0.007020633,"domain_scores_codex":[0.9993445,0.00005932269,0.0000239705,0.0001171798,0.0003692146,0.00008578845],"domain_scores_gemma":[0.999701,0.00003424981,0.00009748595,0.0000274503,0.0000909065,0.00004888722],"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":[0.00331545,0.0003869995,0.005645373,0.004076557,0.0002711042,0.003085266,0.001428007,0.007008341,0.4443936,0.03529088,0.2209185,0.2741801],"study_design_scores_gemma":[0.001534009,0.0008999449,0.01106388,0.0002096155,0.0001102614,0.002336594,0.0008070429,0.01009908,0.06345264,0.007272973,0.9020947,0.000119348],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7312258,0.01791801,0.0231118,0.007391449,0.003472714,0.0007811085,0.02292255,0.004094395,0.1890822],"genre_scores_gemma":[0.8543761,0.0116224,0.03772484,0.003822312,0.0004224906,0.0006384031,0.0330299,0.0008997168,0.05746398],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01232459,"threshold_uncertainty_score":0.0412299,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01065776887016898,"score_gpt":0.2627425215803135,"score_spread":0.2520847527101445,"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."}}