{"id":"W2004840035","doi":"10.1002/mrc.839","title":"Crystal structure of and conformational equilibria in 1,1′‐dihydroxybis(4<i>H</i>‐cyclopenta[<i>def</i>]phenanthrene) and related derivatives","year":2001,"lang":"en","type":"article","venue":"Magnetic Resonance in Chemistry","topic":"Molecular spectroscopy and chirality","field":"Chemistry","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"York University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Vicinal; Alkane stereochemistry; Diol; Enantiomer; Crystal structure; Hydrogen bond; Gauche effect; Crystallography; Stereochemistry; Computational chemistry; Molecule; 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":[0.00006112573,0.00009981736,0.0001208607,0.00009103354,0.0002372819,0.0003784165,0.0002716002,0.0001545193,0.001212183],"category_scores_gemma":[0.0002041255,0.0001251018,0.00006079461,0.0001405731,0.0002224378,0.0001388545,0.00006901033,0.0004534493,0.0001853279],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005585292,"about_ca_system_score_gemma":0.0002387738,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003675379,"about_ca_topic_score_gemma":0.004846336,"domain_scores_codex":[0.9999512,0.000003740514,0.000001658258,0.00001199833,0.000019614,0.00001166724],"domain_scores_gemma":[0.9999118,0.00002239166,0.0000243997,0.00000481084,0.00001442448,0.00002219386],"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":[0.000281827,0.0002011892,0.002142341,0.0001061354,0.00001654566,0.0001733303,0.0001916556,0.002623901,0.9857649,0.002574897,0.0008354763,0.005087886],"study_design_scores_gemma":[0.0003124463,0.0006197831,0.02307001,0.00003402691,0.00003968725,0.000477226,0.0002913618,0.03948054,0.9243928,0.0009412066,0.01030512,0.0000357739],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9969598,0.0003694372,0.0003570408,0.00004756439,0.000009017424,0.000005312052,0.0002063464,0.00002399368,0.002021541],"genre_scores_gemma":[0.9971528,0.0002510262,0.0005955471,0.00002578908,0.000003942146,0.000009475285,0.0005012057,0.00001399707,0.00144621],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003675379,"threshold_uncertainty_score":0.007307947,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005423351163460073,"score_gpt":0.2308013229824431,"score_spread":0.225377971818983,"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."}}