{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,30]],"date-time":"2026-07-30T15:42:05Z","timestamp":1785426125307,"version":"3.56.0"},"reference-count":0,"publisher":"International Union of Crystallography (IUCr)","issue":"6","license":[{"start":{"date-parts":[[2025,11,5]],"date-time":"2025-11-05T00:00:00Z","timestamp":1762300800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"},{"start":{"date-parts":[[2025,11,5]],"date-time":"2025-11-05T00:00:00Z","timestamp":1762300800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"}],"funder":[{"name":"Polish National Science Centre (NCN) under SONATA BIS 11 grant","award":["2021\/42\/E\/ST4\/00229"],"award-info":[{"award-number":["2021\/42\/E\/ST4\/00229"]}]}],"content-domain":{"domain":["iucr.org","wiley.com","iucrj.org"],"crossmark-restriction":true},"short-container-title":["Acta Crystallogr B Struct Sci Cryst Eng Mater","Acta Crystallogr B","Acta Crystallogr B Struct Sci","Acta Cryst B","Acta Cryst B Struct Sci Cryst Eng Mater","Acta Cryst Sect B","Acta Cryst Sect B Struct Sci Cryst Eng Mater","Acta Crystallogr Sect B","Acta Crystallogr Sect B Struct Sci Cryst Eng Mater","Acta Crystallogr Sect B Struct Sci"],"accepted":{"date-parts":[[2025,10,1]]},"published-print":{"date-parts":[[2025,12,1]]},"abstract":"<jats:p>\n                    <jats:italic>tert<\/jats:italic>\n                    -Butylcalix[6]arene (TBC6) exhibits a rich crystal energy landscape, with structural diversity driven by macrocycle conformation, guest inclusion and self-assembly. Using multicomponent crystallization mixtures containing DMSO and additional solvents (\n                    <jats:italic>e.g<\/jats:italic>\n                    . DMF, chlorobenzene, 1,2-dichlorobenzene, anisole, THF), we obtained seven new TBC6 solvates. One structure, crystallized in the presence of pyridine, adopts a winged-cone conformation with a bilayer arrangement in the crystal. The remaining six are isostructural and feature a columnar packing of TBC6 in a 1,2,3-alternate conformation stabilized by four strong interactions with DMSO: two hydrogen bonds and two C\u2014H...\u03c0 interactions. Notably, DMSO in the TBC6 cavity is released at elevated temperatures (\u223c200\u00b0C), consistent with its stronger binding energy as calculated using DFT methods. TBC6\u2013TBC6 interactions, both within and between columns, dominate the crystal packing, with intracolumnar contacts contributing twice as much stabilization as intercolumnar ones, where additional solvent guests are located. Hirshfeld surface analysis supports these findings, highlighting extensive contact areas between TBC6 molecules. This study contributes to understanding how solvent properties, interaction energies, and packing preferences drive the solid-state organization of calixarenes\u2014molecules with broad applications in separation, recognition, and supramolecular chemistry.\n                  <\/jats:p>","DOI":"10.1107\/s2052520625008625","type":"journal-article","created":{"date-parts":[[2025,11,7]],"date-time":"2025-11-07T18:09:58Z","timestamp":1762538998000},"page":"517-527","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":0,"title":["DMSO solvates of\n                    <i>tert<\/i>\n                    -butylcalix[6]arene and related multisolvent structures"],"prefix":"10.1107","volume":"81","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-3257-1986","authenticated-orcid":true,"given":"Monika","family":"Wanat","sequence":"first","affiliation":[{"id":[{"id":"https:\/\/ror.org\/039bjqg32","id-type":"ROR","asserted-by":"publisher"}],"department":["Faculty of Chemistry"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ewelina","family":"Zaorska","sequence":"additional","affiliation":[{"id":[{"id":"https:\/\/ror.org\/039bjqg32","id-type":"ROR","asserted-by":"publisher"}],"department":["Faculty of Chemistry"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7138-7041","authenticated-orcid":true,"given":"Maura","family":"Malinska","sequence":"additional","affiliation":[{"id":[{"id":"https:\/\/ror.org\/039bjqg32","id-type":"ROR","asserted-by":"publisher"}],"department":["Faculty of Chemistry"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"329","published-online":{"date-parts":[[2025,11,5]]},"container-title":["Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials"],"original-title":[],"link":[{"URL":"https:\/\/journals.iucr.org\/b\/issues\/2025\/06\/00\/um5068\/um5068.pdf","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/journals.iucr.org\/b\/issues\/2025\/06\/00\/um5068\/um5068.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,12,17]],"date-time":"2025-12-17T11:49:53Z","timestamp":1765972193000},"score":1,"resource":{"primary":{"URL":"https:\/\/journals.iucr.org\/paper?S2052520625008625"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,11,5]]},"references-count":0,"journal-issue":{"issue":"6","published-online":{"date-parts":[[2025,12]]}},"alternative-id":["S2052520625008625"],"URL":"https:\/\/doi.org\/10.1107\/s2052520625008625","relation":{"is-supplemented-by":[{"id-type":"doi","id":"10.1107\/S2052520625008625\/um5068sup1.cif","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S2052520625008625\/um50681sup3.hkl","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S2052520625008625\/um50682sup4.hkl","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S2052520625008625\/um50683sup5.hkl","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S2052520625008625\/um50684sup6.hkl","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S2052520625008625\/um50685sup7.hkl","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S2052520625008625\/um50686sup8.hkl","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S2052520625008625\/um50687sup9.hkl","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S2052520625008625\/um5068sup2.pdf","asserted-by":"subject"}]},"ISSN":["2052-5206"],"issn-type":[{"value":"2052-5206","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025,11,5]]},"assertion":[{"value":"Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials","order":0,"name":"journal","label":"Publication","explanation":{"URL":"https:\/\/journals.iucr.org\/b"},"group":{"name":"general","label":"General"}},{"value":"research papers","order":1,"name":"content_type","label":"Content type","explanation":{"URL":"https:\/\/journals.iucr.org\/b\/services\/notesforauthors.html"},"group":{"name":"general","label":"General"}},{"value":"Available","URL":"https:\/\/scripts.iucr.org\/cgi-bin\/citedin?um5068","order":2,"name":"article_metrics","label":"Article metrics","group":{"name":"general","label":"General"}},{"value":"Yes","order":0,"name":"peer_reviewed","label":"Peer reviewed","group":{"name":"peer_review","label":"Peer review"}},{"value":"Single blind","order":1,"name":"review_process","label":"Review process","group":{"name":"peer_review","label":"Peer review"}},{"value":"5 July 2025","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication history"}},{"value":"1 October 2025","order":1,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication history"}},{"value":"5 November 2025","order":2,"name":"published_online","label":"Published online","group":{"name":"publication_history","label":"Publication history"}},{"value":"This article has supporting information","name":"supplementary_materials","label":"Supplementary materials","explanation":{"URL":"https:\/\/scripts.iucr.org\/cgi-bin\/sendsup?um5068"}},{"value":"\u00a9 2025 Monika Wanat\n                      et al.","order":0,"name":"copyright","label":"Copyright","explanation":{"URL":"https:\/\/journals.iucr.org\/services\/copyrightpolicy.html"},"group":{"name":"copyright_and_licencing","label":"Copyright and licencing"}},{"value":"Creative Commons Attribution (CC-BY)","order":1,"name":"license","label":"Licence","explanation":{"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"},"group":{"name":"copyright_and_licencing","label":"Copyright and licencing"}}]}}