{"id":"W2902872296","doi":"10.1107/s2414314618016309","title":"Polar crystal of vanillylformamide through replacement of the alkene by an isosteric formamide group","year":2018,"lang":"en","type":"article","venue":"IUCrData","topic":"Crystal structures of chemical compounds","field":"Chemistry","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Sherbrooke; Cégep de Sherbrooke","funders":"Fonds de recherche du Québec – Nature et technologies","keywords":"Chemistry; van der Waals force; Hydrogen bond; Formamide; Crystallography; Intermolecular force; Molecule; Crystal structure; Alkene; Stereochemistry; Crystal (programming language); Van der Waals radius; Group (periodic table); Single crystal; Organic chemistry; Catalysis","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":[0.0002233288,0.0002870415,0.0003633662,0.0004264177,0.0003782847,0.0007669802,0.0009169036,0.0003547741,0.005226215],"category_scores_gemma":[0.0004295163,0.0003239361,0.0001243328,0.0007390312,0.000266595,0.0002760347,0.0002929271,0.001018119,0.0009533605],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005311721,"about_ca_system_score_gemma":0.0007731465,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.007081768,"about_ca_topic_score_gemma":0.006065152,"domain_scores_codex":[0.9997795,0.00001949212,0.000008729828,0.00005511783,0.0001009183,0.00003623658],"domain_scores_gemma":[0.9998465,0.00003820083,0.0000369897,0.00001602543,0.00003853688,0.0000238093],"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":[0.002051747,0.000319152,0.003884404,0.001009766,0.00007482666,0.001129144,0.00072045,0.004863214,0.8997073,0.009198019,0.01479606,0.06224589],"study_design_scores_gemma":[0.001895069,0.001431971,0.0205915,0.00021742,0.0002026939,0.002114124,0.0007314504,0.03770734,0.7101125,0.002012178,0.2229133,0.00007051522],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9354589,0.003779822,0.01104098,0.0007682617,0.0003909889,0.0003359811,0.009735315,0.0008525554,0.03763722],"genre_scores_gemma":[0.9368212,0.003497003,0.02304269,0.0001582303,0.00007883507,0.0002541298,0.01474352,0.0002058046,0.0211986],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.007081768,"threshold_uncertainty_score":0.01748347,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01116451152011193,"score_gpt":0.2494497222673542,"score_spread":0.2382852107472422,"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."}}