{"id":"W2064302156","doi":"10.1023/b:jocc.0000021560.97277.84","title":"4-(E)-2-[3-(3-[(E)-2-(4-cyanophenyl)-1-diazenyl]perhydrobenzo[d]imidazol-1-ylmethyl)perhydrobenzo[d]imidazol-1-yl]-1-diazenylbenzonitrile: X-ray crystal structure","year":2004,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Synthesis and biological activity","field":"Chemistry","cited_by":11,"is_retracted":false,"has_abstract":false,"ca_institutions":"Saint Mary's University","funders":"","keywords":"Chemistry; Crystal structure; Orthorhombic crystal system; Crystallography; Imidazolidine; Hydrogen bond; Derivative (finance); Stacking; Molecule; Stereochemistry; 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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow","research_integrity","insufficient_payload"],"consensus_categories":["metaepi_narrow","research_integrity"],"category_scores_codex":[0.0008223524,0.001448713,0.00226889,0.0007079159,0.0003603005,0.0003490402,0.001999496,0.001668128,0.003580003],"category_scores_gemma":[0.0009688083,0.001111677,0.002528485,0.001420257,0.0009085076,0.0008428763,0.000434278,0.002948916,0.0000184654],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004736146,"about_ca_system_score_gemma":0.0003838364,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00005827499,"about_ca_topic_score_gemma":0.00001377806,"domain_scores_codex":[0.9922076,0.0001825767,0.002576768,0.001285155,0.001959706,0.00178821],"domain_scores_gemma":[0.9940019,0.0008054515,0.001973205,0.001149282,0.0007358041,0.001334315],"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":[0.0007511295,0.001260993,0.002340632,0.0002272904,0.0006985,0.0003454161,0.0001587731,0.0005248685,0.9908826,0.0002964663,0.0007249286,0.001788388],"study_design_scores_gemma":[0.005395381,0.0004983299,0.00160439,0.0005734671,0.0005789068,0.001213167,0.0004100316,0.00004904823,0.9532906,0.01478034,0.01952574,0.002080563],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9898756,0.002122238,0.0003060145,0.0008791462,0.0005641013,0.0002526052,0.0003236228,0.0002687004,0.005407972],"genre_scores_gemma":[0.9920212,0.0003254407,0.004570757,0.000506133,0.002259894,0.00001720946,0.00007665794,0.0001750184,0.0000477041],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03759198,"threshold_uncertainty_score":0.9998263,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008777218897034436,"score_gpt":0.2139248502047977,"score_spread":0.2051476313077633,"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."}}