{"id":"W4411642707","doi":"10.1021/acs.cgd.5c00295","title":"Synthesis and X-ray Structures of Bis-Functional Resorcinarene Crown Ethers","year":2025,"lang":"en","type":"article","venue":"Crystal Growth & Design","topic":"Molecular Sensors and Ion Detection","field":"Chemistry","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Windsor","funders":"Natural Sciences and Engineering Research Council of Canada; Alliance de recherche numérique du Canada; Jyväskylän Yliopisto; Academy of Finland; National Science Foundation","keywords":"Chemistry; Crown ether; Molecule; Tetrafluoroborate; Intramolecular force; Hydrogen bond; Acetonitrile; Dimer; Solvent; Resorcinarene; Host–guest chemistry; Ether; Crystallography; Calixarene; Resorcinol; Medicinal chemistry; Stereochemistry; Supramolecular chemistry; Organic chemistry; Catalysis; Ionic liquid","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":[],"consensus_categories":[],"category_scores_codex":[0.0001290079,0.0001462252,0.0001860815,0.0001149629,0.000106404,0.00003147042,0.00008828779,0.0001473796,0.0005255453],"category_scores_gemma":[0.0002598134,0.0001347215,0.00007296639,0.0001629437,0.0001138823,0.00004985701,0.00003563406,0.00012426,0.000001080466],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002929524,"about_ca_system_score_gemma":0.000056839,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0000404848,"about_ca_topic_score_gemma":0.0000012352,"domain_scores_codex":[0.9991369,0.00006043636,0.0002147728,0.0002645655,0.0001728018,0.0001504997],"domain_scores_gemma":[0.9993818,0.0002015839,0.00008139495,0.0001952878,0.00008837706,0.0000515901],"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":[0.0003496413,0.00002637736,0.0003321924,0.0001917351,0.00008465735,0.000006511953,0.000054399,0.0005687388,0.9918692,0.001251235,0.001980004,0.003285274],"study_design_scores_gemma":[0.0003895677,0.00004086873,0.003977032,0.00009079064,0.00008152801,0.0000108071,0.000161604,0.000861195,0.9889197,0.002679822,0.002611927,0.0001751669],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9321505,0.001020131,0.05580302,0.0001511905,0.0001573461,0.0001214394,0.00002113503,0.00009262385,0.01048263],"genre_scores_gemma":[0.9973887,0.00003424847,0.001102373,0.00004770479,0.00004491899,0.00001520836,0.00000339227,0.00001604151,0.001347475],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.06523815,"threshold_uncertainty_score":0.5754352,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01437567742374611,"score_gpt":0.2177063332947804,"score_spread":0.2033306558710343,"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."}}