{"id":"W2065418356","doi":"10.1007/s10870-005-4552-y","title":"X-ray crystal structures of two polymorphic forms, monoclinic and triclinic, of: 1-[(E)-2-(4-bromophenyl)1-diazenyl]-3-({3-[(E)-2-(4-bromophenyl)-1-diazenyl]-6-ethylhexahydro-1-pyrimidinyl}methyl)-4-ethylhexahydropyrimidine","year":2005,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Synthesis and biological activity","field":"Chemistry","cited_by":4,"is_retracted":false,"has_abstract":false,"ca_institutions":"Saint Mary's University","funders":"","keywords":"Triclinic crystal system; Monoclinic crystal system; Crystallography; Crystal structure; Methylene; Chemistry; Triazene; Stereochemistry; Moiety; Molecule; 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","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.001783249,0.001064077,0.002924026,0.0006743706,0.0001637449,0.00009789185,0.00145287,0.001064373,0.00147768],"category_scores_gemma":[0.001377335,0.0007974058,0.002115788,0.001093145,0.001478177,0.0006756194,0.0004642459,0.001790898,0.000001829752],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001155512,"about_ca_system_score_gemma":0.000225545,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0000744611,"about_ca_topic_score_gemma":0.000007716557,"domain_scores_codex":[0.9921696,0.000277779,0.004023165,0.0009673812,0.001453633,0.001108484],"domain_scores_gemma":[0.9911948,0.002457748,0.003951358,0.000929176,0.0005917419,0.0008752189],"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":[0.001511167,0.001373113,0.009732279,0.0004452695,0.0008291472,0.00004270644,0.0002205817,0.0000646284,0.9722763,0.0001867709,0.0002878761,0.01303012],"study_design_scores_gemma":[0.005931969,0.0009531967,0.002607968,0.0004178539,0.0006683476,0.0003452201,0.0004127899,0.000279466,0.9723836,0.01264605,0.002188518,0.001165062],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9899888,0.006330974,0.0001567866,0.0004722799,0.0002064058,0.0002376955,0.0002106544,0.00008013889,0.002316273],"genre_scores_gemma":[0.9895839,0.001292614,0.007664626,0.0001604694,0.001105922,0.00001318849,0.00002948266,0.0001047213,0.00004508638],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01245928,"threshold_uncertainty_score":0.9994477,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0186971069107863,"score_gpt":0.2646705884474074,"score_spread":0.2459734815366211,"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."}}