{"id":"W2949216424","doi":"10.1021/ol000234n","title":"X-ray Crystallographic and <sup>13</sup>C NMR Investigations of the Effects of Electron-Withdrawing Groups on a Series of Pyrroles","year":2000,"lang":"en","type":"article","venue":"Organic Letters","topic":"Porphyrin and Phthalocyanine Chemistry","field":"Materials Science","cited_by":14,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia","funders":"","keywords":"Chemistry; Chemical shift; Crystal structure; Crystallography; Polar effect; X-ray; Aromaticity; Crystal (programming language); Atom (system on chip); Nucleophile; Characterization (materials science); Molecule; Series (stratigraphy); Carbon-13 NMR; Stereochemistry; Medicinal chemistry; Organic chemistry; Catalysis; Nanotechnology","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":[0.0001848288,0.000262489,0.0001576054,0.00009133421,0.0001909672,0.000128809,0.0001980331,0.0001892376,0.001886915],"category_scores_gemma":[0.000274639,0.00009810033,0.0001023805,0.0001408557,0.0002921241,0.0001858839,0.00006507128,0.0003241934,0.0001978957],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001480649,"about_ca_system_score_gemma":0.0001487426,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006643764,"about_ca_topic_score_gemma":0.0009409353,"domain_scores_codex":[0.999923,0.00001871125,0.000004263296,0.00001093647,0.00002494021,0.00001813966],"domain_scores_gemma":[0.9997798,0.00007748749,0.00005251563,0.00001951188,0.00004624237,0.00002449203],"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":[0.0002413069,0.00003817206,0.0002697956,0.00008467122,0.000006499962,0.00008783866,0.00002737453,0.0003039941,0.9966601,0.0001336936,0.00006915034,0.002077372],"study_design_scores_gemma":[0.00001064851,0.0003085025,0.001896524,0.000003398748,0.000008537862,0.0001326554,0.00002013034,0.0003237213,0.996253,0.00002396476,0.001015124,0.00000374335],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9954674,0.001086888,0.0007138809,0.00004975578,0.000008476808,0.00001502186,0.000191731,0.0000167186,0.002450183],"genre_scores_gemma":[0.9951933,0.001062694,0.002368919,0.00003197971,0.000007567301,0.00001171977,0.0002748634,0.000009562372,0.001039268],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001886915,"threshold_uncertainty_score":0.006312311,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.003577380081352151,"score_gpt":0.176086489800567,"score_spread":0.1725091097192148,"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."}}