{"id":"W2086663551","doi":"10.1016/j.tet.2007.03.101","title":"The potential of intermolecular N⋯O interactions of nitro groups in crystal engineering, as revealed by structures of hexakis(4-nitrophenyl)benzene","year":2007,"lang":"en","type":"article","venue":"Tetrahedron","topic":"Crystallography and molecular interactions","field":"Chemistry","cited_by":42,"is_retracted":false,"has_abstract":false,"ca_institutions":"Université de Montréal","funders":"Natural Sciences and Engineering Research Council of Canada; Canada Research Chairs","keywords":"Chemistry; Intermolecular force; Hydrogen bond; Benzene; Nitro; Molecule; Crystal engineering; Crystal (programming language); Crystal structure; Crystallography; 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00008998258,0.0001197002,0.0001142795,0.00007717936,0.0002249886,0.0003105279,0.0002098945,0.0001362094,0.0009596829],"category_scores_gemma":[0.0001389991,0.0001225779,0.00005886081,0.0001329529,0.0002998384,0.0002926968,0.000220415,0.0003362579,0.0001950278],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002018121,"about_ca_system_score_gemma":0.0002717532,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001333661,"about_ca_topic_score_gemma":0.003269652,"domain_scores_codex":[0.9999605,0.00001220563,0.000001585389,0.000005729628,0.00001140313,0.00000856733],"domain_scores_gemma":[0.9999455,0.00001770106,0.00001312217,0.000007840277,0.000004099963,0.00001172309],"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":[0.0004089482,0.00007024613,0.00135338,0.0001145606,0.00001172625,0.0007347959,0.0002207015,0.009632131,0.9504819,0.02064792,0.0007201976,0.01560368],"study_design_scores_gemma":[0.0002425457,0.000635132,0.006276669,0.00004994876,0.00004990723,0.001218067,0.000712459,0.05632226,0.8970283,0.0149319,0.02247812,0.00005455964],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9823898,0.0007736641,0.006539148,0.0002169129,0.00002298764,0.000008322794,0.00004200232,0.00004580861,0.009961399],"genre_scores_gemma":[0.995494,0.0007545472,0.002471772,0.00004255281,0.000005178741,0.000006874936,0.00004966419,0.00001045567,0.001164925],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001333661,"threshold_uncertainty_score":0.003210485,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.002822836829280603,"score_gpt":0.2268420805960043,"score_spread":0.2240192437667237,"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."}}