{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002983985,0.0003026853,0.0005074866,0.0002220714,0.0004230681,0.0006238989,0.001239268,0.0005617188,0.003483103],"category_scores_gemma":[0.001007983,0.0003121682,0.0001020257,0.0008327405,0.0005144312,0.0003102453,0.0001830998,0.001277724,0.0007112036],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008170923,"about_ca_system_score_gemma":0.001279482,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004350742,"about_ca_topic_score_gemma":0.003163336,"domain_scores_codex":[0.9997292,0.00003543548,0.00001921965,0.00003491912,0.0001443191,0.00003693319],"domain_scores_gemma":[0.9996392,0.00007772629,0.0001073504,0.0000366922,0.00007040607,0.00006864582],"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":[0.006197846,0.0006375668,0.006390869,0.003014522,0.000152791,0.001413391,0.001491632,0.007457477,0.7795317,0.02000513,0.05794974,0.1157573],"study_design_scores_gemma":[0.006197604,0.001452063,0.037893,0.0002262616,0.0002249163,0.003940763,0.002224729,0.02499243,0.5605192,0.004697976,0.3574027,0.000228297],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9371728,0.00856668,0.00834447,0.002611459,0.0003901699,0.0003018257,0.009355983,0.0003935068,0.03286317],"genre_scores_gemma":[0.9678372,0.003359985,0.01043424,0.0004801998,0.00006373361,0.0002286519,0.007771929,0.00008915197,0.009734889],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004350742,"threshold_uncertainty_score":0.01165217,"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."}}