{"id":"W2588077699","doi":"10.1107/s2056989017002213","title":"Crystal structure and solvent-dependent behaviours of 3-amino-1,6-diethyl-2,5,7-trimethyl-4,4-diphenyl-3a,4a-diaza-4-bora-<i>s</i>-indacene","year":2017,"lang":"en","type":"article","venue":"Acta Crystallographica Section E Crystallographic Communications","topic":"Luminescence and Fluorescent Materials","field":"Materials Science","cited_by":6,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto; Brock University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Chloroform; Dihedral angle; BODIPY; Solvent; Crystal structure; Molecule; Dichloromethane; Crystallography; Dimethyl sulfoxide; Toluene; Photochemistry; Fluorescence; Proton NMR; Hydrogen bond; Stereochemistry; 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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow","sts"],"consensus_categories":["sts"],"category_scores_codex":[0.001403728,0.0008009567,0.001082746,0.001013961,0.002950692,0.000890357,0.003692047,0.0006768911,0.000405113],"category_scores_gemma":[0.0003854802,0.0007899125,0.0004773804,0.0006403419,0.003682245,0.001590961,0.001994564,0.0008073269,0.000001148417],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00007164127,"about_ca_system_score_gemma":0.0001892666,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002271156,"about_ca_topic_score_gemma":0.003197315,"domain_scores_codex":[0.9947624,0.0006556491,0.001492947,0.001161036,0.0009212607,0.001006726],"domain_scores_gemma":[0.9909008,0.0002864622,0.001827186,0.005831283,0.0006819693,0.0004723342],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"observational","study_design_scores_codex":[0.0001118089,0.0004936514,0.03564451,0.000110458,0.0001434053,0.000007628126,0.0006647789,0.000005006351,0.9616976,0.0006441636,0.0002157045,0.0002612413],"study_design_scores_gemma":[0.009918828,0.002286548,0.7426712,0.001196804,0.002412773,0.0006017738,0.004747686,0.0003224508,0.1851642,0.0186326,0.02660386,0.005441263],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9924703,0.001264201,0.0002738426,0.001613109,0.001225056,0.00114541,0.000956206,0.0003375796,0.0007142498],"genre_scores_gemma":[0.993851,0.002704175,0.00254421,0.00009982311,0.0002055556,0.0001293615,0.0003030991,0.0001068777,0.00005589477],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.7765334,"threshold_uncertainty_score":0.9994552,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02273283972991963,"score_gpt":0.2765754774807925,"score_spread":0.2538426377508728,"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."}}