{"id":"W2321392534","doi":"10.1107/s1600536813031097","title":"2-{4-Methyl-<i>N</i>-[(2,3,4,9-tetrahydro-1<i>H</i>-carbazol-3-yl)methyl]benzenesulfonamido}ethyl 4-methylbenzenesulfonate","year":2013,"lang":"en","type":"article","venue":"Acta Crystallographica Section E Structure Reports Online","topic":"Crystal structures of chemical compounds","field":"Chemistry","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Montréal","funders":"","keywords":"Dihedral angle; Ring (chemistry); Hydrogen bond; Crystallography; Chemistry; Molecule; Perpendicular; Crystal (programming language); Envelope (radar); Cyclohexenone; Stereochemistry; Geometry; Mathematics","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":[0.0001396166,0.0003389857,0.0004396373,0.0001860781,0.0002860356,0.0002197597,0.0004536011,0.0001908656,0.01031124],"category_scores_gemma":[0.0001078144,0.0001287767,0.0001297573,0.0002731586,0.0002211596,0.0002200478,0.0002446875,0.0002936283,0.004121374],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004028126,"about_ca_system_score_gemma":0.0007956598,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002939289,"about_ca_topic_score_gemma":0.004639315,"domain_scores_codex":[0.9998777,0.0000189097,0.000006277415,0.00002044867,0.00003580103,0.00004081874],"domain_scores_gemma":[0.999946,0.000005682626,0.00001260541,0.000005663528,0.000007542184,0.00002248502],"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":[0.00116756,0.0001159811,0.0004477412,0.0004989472,0.00001568263,0.000312439,0.00006414192,0.0006914695,0.9708476,0.002556694,0.003780972,0.01950081],"study_design_scores_gemma":[0.0005967033,0.003125288,0.006688498,0.00008848715,0.00003295976,0.001031426,0.0001562291,0.003148532,0.8700604,0.0004363125,0.1145622,0.00007295893],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8618261,0.01193062,0.01259207,0.001331672,0.0009614752,0.0002677481,0.003738371,0.002751773,0.1046003],"genre_scores_gemma":[0.9625614,0.003172889,0.004158877,0.000258138,0.00006218805,0.00008143249,0.001706792,0.00006713777,0.02793109],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01031124,"threshold_uncertainty_score":0.03449458,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005995419727552038,"score_gpt":0.2216337196096121,"score_spread":0.21563829988206,"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."}}