{"id":"W4254873533","doi":"10.1107/s1600536809019023","title":"Monoclinic 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 200 (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":"Monoclinic crystal system; Hydrogen bond; Molecule; Propenyl; Intermolecular force; Chemistry; Crystallography; Stereochemistry; Crystal structure; 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":[0.0001132926,0.000265716,0.0003888816,0.000140744,0.0004745029,0.000701955,0.0008817494,0.0002490195,0.005284491],"category_scores_gemma":[0.0003310355,0.0001497173,0.00006549361,0.0004601587,0.0004263554,0.0002342271,0.000148064,0.0005521759,0.001010304],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005351433,"about_ca_system_score_gemma":0.001272482,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.005841414,"about_ca_topic_score_gemma":0.006055338,"domain_scores_codex":[0.999815,0.00001811008,0.000006548556,0.00003609959,0.00008916723,0.00003505746],"domain_scores_gemma":[0.9998643,0.00001558743,0.00004254105,0.00001325216,0.00003352702,0.00003072299],"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":[0.002484939,0.0001968509,0.002377141,0.0008776849,0.00006833885,0.001246001,0.0005359977,0.002965976,0.857904,0.009261617,0.03756318,0.08451823],"study_design_scores_gemma":[0.002064193,0.00199019,0.02146515,0.000111383,0.00007411459,0.002428017,0.0008049402,0.0170378,0.5291799,0.003652401,0.4210908,0.0001011394],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9517127,0.002309906,0.003169504,0.0009367365,0.0004716432,0.00008425838,0.003037933,0.0005177597,0.03775954],"genre_scores_gemma":[0.9737787,0.001314102,0.005889148,0.0004408228,0.00005653336,0.0000661119,0.004385919,0.000135046,0.01393364],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005841414,"threshold_uncertainty_score":0.01767838,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01058785536631274,"score_gpt":0.262558703171188,"score_spread":0.2519708478048753,"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."}}