{"doi":"10.1021/acs.cgd.7b01422","title":"Cage Doubling: Solvent-Mediated Re-equilibration of a [3 + 6] Prismatic Organic Cage to a Large [6 + 12] Truncated Tetrahedron","abstract":null,"journal":"Crystal Growth & Design","year":2018,"id":588483,"datarank":1.6979955732523888,"base_score":3.8501476017100584,"endowment":3.8501476017100584,"self_citation_contribution":0.5775221402565088,"citation_network_contribution":1.12047343299588,"self_endowment_contribution":0.5775221402565088,"citer_contribution":1.12047343299588,"corpus_percentile":null,"corpus_rank":null,"citation_count":46,"citer_count":37,"citers_with_citation_signal":36,"citers_with_endowment":36,"datacite_reuse_total":1,"is_dataset":false,"is_dataset_confidence":null,"is_data_producer":false,"deposit_databanks":null,"is_oa":false,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":null,"fair_score":null,"fair_percentile":null,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":1505523,"name":"Valentina Santolini","orcid":null,"position":1,"is_corresponding":false},{"id":1505524,"name":"Rebecca L. Greenaway","orcid":null,"position":2,"is_corresponding":false},{"id":140191,"name":"Marc A. Little","orcid":null,"position":3,"is_corresponding":false},{"id":1505525,"name":"Michael E. Briggs","orcid":"0000-0003-1474-1267","position":4,"is_corresponding":false},{"id":1505526,"name":"Kim E. Jelfs","orcid":"0000-0001-7683-7630","position":5,"is_corresponding":false},{"id":1133262,"name":"Andrew I. Cooper","orcid":"0000-0003-0201-1021","position":6,"is_corresponding":false},{"id":1505522,"name":"Chloe J. Pugh","orcid":"0000-0002-6760-5405","position":0,"is_corresponding":false}],"reference_count":0,"raw_metadata":{"has_enrichment":true,"resolved":true,"title":"Cage Doubling: Solvent-Mediated Re-equilibration of a [3 + 6] Prismatic Organic Cage to a Large [6 + 12] Truncated Tetrahedron","abstract":"We show that a [3 + 6] trigonal prismatic imine (a) cage can rearrange stoichiometrically and structurally to form a [6 + 12] cage (b) with a truncated tetrahedral shape. Molecular simulations rationalize why this rearrangement was only observed for the prismatic [3 + 6] cage TCC1 but not for the analogous [3 + 6] cages, TCC2 and TCC3. Solvent was found to be a dominant factor in driving this rearrangement.","is_dataset_classified":null,"base_score":3.8501476017100584,"endowment":3.8501476017100584,"datacite_reuse_total":1,"file_count":0,"downloads":0,"views":0,"has_version_chain":false,"is_dataset":false,"is_oa":false,"pmid":"26657633","pmcid":null,"openalex_id":"https://openalex.org/W2796085961","authors":[],"funders":[{"funder_name":"European Commission","grant_id":"321156","title":"Robust Organic Tectonics"},{"funder_name":"Engineering and Physical Sciences Research Council (EPSRC)","grant_id":"EP/N004884/1","title":"Integration of Computation and Experiment for Accelerated Materials Discovery"}],"total_grants":2,"fwci":2.6734,"citation_percentile":0.90230237,"influential_citations":0,"citation_trend":[{"year":2018,"count":4},{"year":2019,"count":5},{"year":2020,"count":7},{"year":2021,"count":8},{"year":2022,"count":3},{"year":2023,"count":7},{"year":2024,"count":7},{"year":2025,"count":5}],"oa_status":"hybrid","license":"cc-by","oa_locations":[{"url":"https://doi.org/10.1021/acs.cgd.7b01422","host_type":"journal"},{"url":"https://doi.org/10.1021/acs.cgd.7b01422","host_type":"publisher"},{"url":"http://pubs.acs.org/doi/pdf/10.1021/acs.cgd.7b01422","host_type":"publisher"},{"url":"https://pubs.acs.org/doi/pdf/10.1021/acs.cgd.7b01422","host_type":"publisher"},{"url":"http://hdl.handle.net/10044/1/78700","host_type":"repository"},{"url":"http://livrepository.liverpool.ac.uk/3019973/1/acs.cgd.7b01422.pdf","host_type":""},{"url":"https://dx.doi.org/10.1021/acs.cgd.7b01422","host_type":""},{"url":"http://dx.doi.org/10.1021/acs.cgd.7b01422","host_type":""},{"url":"https://doi.org/https://doi.org/10.1021/acs.cgd.7b01422","host_type":""}],"fields_of_study":["Supramolecular Chemistry and Complexes","Advanced NMR Techniques and Applications","Synthesis and Properties of Aromatic Compounds","01 natural sciences","0104 chemical sciences"],"mesh_terms":[],"keywords":["Cage","Tetrahedron","Chemistry","Crystallography","Imine","Trigonal prismatic molecular geometry","Solvent","Stoichiometry","Trigonal crystal system","Cage effect","Stereochemistry","Molecule","Crystal structure","Combinatorics","Octahedron","Organic chemistry","Mathematics","0306 Physical Chemistry (incl. Structural)","Technology","Science & Technology","Multidisciplinary","PORES","Materials Science","540","620","MOLECULES","DESIGN","Physical Sciences","0302 Inorganic Chemistry","Inorganic & Nuclear Chemistry","0912 Materials Engineering"],"sdg_mappings":[{"sdg_number":3,"sdg_label":"3. Good health"}],"linked_datasets":[{"doi":"10.5517/ccdc.csd.cc1pzhpv","title":"CCDC 1578448: Experimental Crystal Structure Determination","publisher":"Cambridge Crystallographic Data Centre","resource_type":"Dataset"}],"clinical_trials":[],"software_tools":[],"database_accessions":[],"source":"live","citation_network_status":"fetched"},"created_at":"2026-07-21T05:11:58.137136Z","pmid":null,"pmcid":null,"fwci":null,"citation_percentile":null,"influential_citations":0,"oa_status":null,"license":null,"views":0,"total_file_size_bytes":0,"version_count":0,"fair_f":null,"fair_a":null,"fair_i":null,"fair_r":null,"fair_zscore":null,"fair_rationale":null,"fair_model":null,"fair_agent_version":null,"fair_fulltext_source":null,"fair_has_llm":null,"fair_computed_at":null,"clinical_trials":[],"software_tools":[],"db_accessions":[],"linked_datasets":[],"topics":[]}