{"id":"W2057492869","doi":"10.1107/s0108768102018803","title":"A reexamination of the low-temperature crystal structure of the <i>p-tert</i>-butylcalix[4]arene–toluene inclusion compound. Differences in spatial averaging with Cu and Mo <i>K</i>α radiation","year":2002,"lang":"en","type":"article","venue":"Acta Crystallographica Section B Structural Science","topic":"Lanthanide and Transition Metal Complexes","field":"Materials Science","cited_by":22,"is_retracted":false,"has_abstract":true,"ca_institutions":"National Research Council Canada; Steacie Institute for Molecular Sciences","funders":"","keywords":"Toluene; Crystallography; Molecule; Calixarene; Crystal (programming language); Inclusion compound; Crystal structure; Diffraction; Distortion (music); Scattering; Chemistry; Materials science; Physics; Optics; 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":[],"consensus_categories":[],"category_scores_codex":[0.0002617682,0.0002045245,0.000256997,0.0002177472,0.0009395706,0.0001184861,0.0005723815,0.00009305804,0.00006869769],"category_scores_gemma":[0.00005616107,0.0001072365,0.00006435961,0.001692808,0.001268581,0.0006825023,0.0003218974,0.0002397719,2.481199e-8],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004883132,"about_ca_system_score_gemma":0.00004351027,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0008842621,"about_ca_topic_score_gemma":0.001745037,"domain_scores_codex":[0.9977936,0.0002220949,0.0003842663,0.0004286528,0.000902988,0.0002684507],"domain_scores_gemma":[0.99902,0.00007543153,0.0003711771,0.0002890718,0.0001857247,0.00005855978],"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":[0.0000360867,0.00001721648,0.03755809,0.00004646094,0.000003517908,4.942478e-7,0.001134702,0.0001369607,0.9608304,0.00009867178,0.000002111205,0.0001353309],"study_design_scores_gemma":[0.0005534347,0.0001209383,0.7467103,0.0001355589,0.00002180822,0.00007478649,0.0001162746,0.001899446,0.2487025,0.001482092,0.00001096877,0.0001719625],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9987367,0.00006426837,0.00004607717,0.0003146289,0.0003829475,0.0003506592,0.0000584675,0.00002161543,0.0000246411],"genre_scores_gemma":[0.9997365,0.00002465697,0.0000979052,0.00007443611,0.00004661443,0.000003670876,0.000004067093,0.00000770391,0.000004424394],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.7121279,"threshold_uncertainty_score":0.7226512,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006679235069997529,"score_gpt":0.1942695657476289,"score_spread":0.1875903306776313,"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."}}