{"id":"https://openalex.org/W2008254282","doi":"https://doi.org/10.1039/a705453j","title":"Crown ether conformations in 1,3-calix[4]arene bis(crown ethers): crystal structures of a caesium complex and solvent adducts and molecular dynamics simulations *","display_name":"Crown ether conformations in 1,3-calix[4]arene bis(crown ethers): crystal structures of a caesium complex and solvent adducts and molecular dynamics simulations *","publication_year":1997,"publication_date":"1997-01-01","ids":{"openalex":"https://openalex.org/W2008254282","doi":"https://doi.org/10.1039/a705453j","mag":"2008254282"},"language":"en","primary_location":{"id":"doi:10.1039/a705453j","doi":"https://doi.org/10.1039/a705453j","is_oa":false,"landing_page_url":"https://doi.org/10.1039/a705453j","pdf_url":null,"source":{"id":"https://openalex.org/S4210210551","display_name":"Journal of the Chemical Society Dalton Transactions","issn_l":"1364-5447","issn":["1364-5447","1472-7773"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core"],"host_organization":"https://openalex.org/P4310320556","host_organization_name":"Royal Society of Chemistry","host_organization_lineage":["https://openalex.org/P4310320556"],"host_organization_lineage_names":["Royal Society of Chemistry"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of the Chemical Society, Dalton Transactions","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5063941923","display_name":"P. Thu\u00e9ry","orcid":"https://orcid.org/0000-0003-1683-570X","observed_orcids":["https://orcid.org/0000-0003-1683-570X"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Pierre Thu\u00e9ry,","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5083492632","display_name":"M. Nierlich","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Martine Nierlich","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5112203449","display_name":"Jeffrey C. Bryan","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Jeffrey C. Bryan","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5067499270","display_name":"V\u00e9ronique Lamare","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"V\u00e9ronique Lamare","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5007763856","display_name":"Jean\u2010Fran\u00e7ois Dozol","orcid":"https://orcid.org/0000-0001-7283-7625","observed_orcids":["https://orcid.org/0000-0001-7283-7625"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Jean-Fran\u00e7ois Dozol","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5114160945","display_name":"Zouhair Asfari","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Zouhair Asfari","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"last","author":{"id":"https://openalex.org/A5109718432","display_name":"Jacques Vicens","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Jacques Vicens","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":0,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":3.5384,"has_fulltext":false,"cited_by_count":69,"citation_normalized_percentile":{"value":0.92988422,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":88,"max":99},"biblio":{"volume":null,"issue":"22","first_page":"4191","last_page":"4202"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10578","display_name":"Supramolecular Chemistry and Complexes","score":0.9961000084877014,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10578","display_name":"Supramolecular Chemistry and Complexes","score":0.9961000084877014,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10464","display_name":"Crystal structures of chemical compounds","score":0.0017000000225380063,"subfield":{"id":"https://openalex.org/subfields/1604","display_name":"Inorganic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10798","display_name":"Crystallography and molecular interactions","score":0.000699999975040555,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/crown-ether-conformation","display_name":"crown ether conformation","score":0.7879999876022339},{"id":"https://openalex.org/keywords/bis-crown-ethers","display_name":"bis-crown ethers","score":0.7080000042915344},{"id":"https://openalex.org/keywords/18-crown-6","display_name":"18-crown-6","score":0.9779999852180481},{"id":"https://openalex.org/keywords/solvent-adducts","display_name":"solvent adducts","score":0.9769999980926514},{"id":"https://openalex.org/keywords/crystal-structure","display_name":"crystal structure","score":0.8560000061988831},{"id":"https://openalex.org/keywords/conformational-mobility","display_name":"conformational mobility","score":0.8259999752044678},{"id":"https://openalex.org/keywords/molecular-dynamics-simulation","display_name":"molecular dynamics simulation","score":0.6370000243186951},{"id":"https://openalex.org/keywords/host-guest-chemistry","display_name":"host-guest chemistry","score":0.5479999780654907}],"concepts":[{"id":"https://openalex.org/C2777463227","wikidata":"https://www.wikidata.org/wiki/Q408047","display_name":"Acetonitrile","level":2,"score":0.79460608959198},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.7904995679855347},{"id":"https://openalex.org/C2777255693","wikidata":"https://www.wikidata.org/wiki/Q410125","display_name":"Crown ether","level":3,"score":0.7473032474517822},{"id":"https://openalex.org/C108204754","wikidata":"https://www.wikidata.org/wiki/Q353392","display_name":"Adduct","level":2,"score":0.7459337115287781},{"id":"https://openalex.org/C2780471494","wikidata":"https://www.wikidata.org/wiki/Q146505","display_name":"Solvent","level":2,"score":0.6812823414802551},{"id":"https://openalex.org/C519659679","wikidata":"https://www.wikidata.org/wiki/Q1108","display_name":"Caesium","level":2,"score":0.6527712345123291},{"id":"https://openalex.org/C2780407432","wikidata":"https://www.wikidata.org/wiki/Q103230","display_name":"Ether","level":2,"score":0.5831630229949951},{"id":"https://openalex.org/C2777327210","wikidata":"https://www.wikidata.org/wiki/Q407733","display_name":"Nitromethane","level":2,"score":0.512600839138031},{"id":"https://openalex.org/C203036418","wikidata":"https://www.wikidata.org/wiki/Q284256","display_name":"Crystallization","level":2,"score":0.5060128569602966},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.49292445182800293},{"id":"https://openalex.org/C115624301","wikidata":"https://www.wikidata.org/wiki/Q895901","display_name":"Crystal structure","level":2,"score":0.47453272342681885},{"id":"https://openalex.org/C2778142098","wikidata":"https://www.wikidata.org/wiki/Q15779","display_name":"Toluene","level":2,"score":0.4591362774372101},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.4394334852695465},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.21859997510910034},{"id":"https://openalex.org/C145148216","wikidata":"https://www.wikidata.org/wiki/Q36496","display_name":"Ion","level":2,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1039/a705453j","doi":"https://doi.org/10.1039/a705453j","is_oa":false,"landing_page_url":"https://doi.org/10.1039/a705453j","pdf_url":null,"source":{"id":"https://openalex.org/S4210210551","display_name":"Journal of the Chemical Society Dalton Transactions","issn_l":"1364-5447","issn":["1364-5447","1472-7773"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core"],"host_organization":"https://openalex.org/P4310320556","host_organization_name":"Royal Society of Chemistry","host_organization_lineage":["https://openalex.org/P4310320556"],"host_organization_lineage_names":["Royal Society of Chemistry"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of the Chemical Society, Dalton Transactions","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":16,"referenced_works":["https://openalex.org/W250051059","https://openalex.org/W1972004117","https://openalex.org/W1978535574","https://openalex.org/W1987957421","https://openalex.org/W2061119072","https://openalex.org/W2079969050","https://openalex.org/W2082041971","https://openalex.org/W2082446751","https://openalex.org/W2090651907","https://openalex.org/W2091779052","https://openalex.org/W2182159656","https://openalex.org/W2337120805","https://openalex.org/W2495947401","https://openalex.org/W3004927898","https://openalex.org/W3005244764","https://openalex.org/W4285719527"],"related_works":["https://openalex.org/W19372773","https://openalex.org/W321319795","https://openalex.org/W2318282405","https://openalex.org/W2095646429","https://openalex.org/W2041389602","https://openalex.org/W1993500696","https://openalex.org/W2049937558","https://openalex.org/W2081276722","https://openalex.org/W2058236883","https://openalex.org/W181002472"],"abstract_inverted_index":{"The":[0,59],"crystal":[1,57],"structures":[2],"of":[3,6,19,23,43,76,104,108,151,155],"solvent":[4,34,52],"adducts":[5],"1,3-calix[4]arene":[7,11],"bis(18-crown-6)":[8],"1":[9,77],"and":[10,30,85,99,119,141,147],"bis(naphtho-18-crown-6)":[12],"3":[13,24,109,140],"as":[14,16,95,113],"well":[15],"the":[17,20,32,41,44,51,56,62,74,88,93,97,102,105,111,116,124,152,156],"structure":[18],"caesium":[21,98,117,145],"complex":[22,118],"have":[25,36],"been":[26],"determined.":[27],"In":[28],"1\u00b73CH3NO2":[29],"3\u00b73CH3CN":[31],"complexed":[33],"molecules":[35],"their":[37],"methyl":[38],"group":[39],"at":[40],"centre":[42],"crown":[45,63,157],"ether":[46,64,158],"rings,":[47],"whereas":[48],"in":[49,55,82,96,115,129,134,149],"3\u00b7C6H5CH3,":[50],"is":[53,78,110,120],"located":[54],"voids.":[58],"consequences":[60],"on":[61,138,142],"conformations":[65],"are":[66],"noticeable:":[67],"comparison":[68],"with":[69,90],"previous":[70],"results":[71],"shows":[72],"that":[73,114],"conformation":[75,89,103],"only":[79],"slightly":[80],"different":[81,122],"its":[83,143],"acetonitrile":[84,91,106],"nitromethane":[86],"adducts,":[87],"being":[92],"same":[94,112],"potassium":[100],"complexes;":[101],"adduct":[107],"strongly":[121],"from":[123],"one":[125],"obtained":[126],"by":[127],"crystallization":[128],"toluene.":[130],"Molecular":[131],"dynamics":[132],"simulations":[133],"vacuo":[135],"were":[136],"performed":[137],"free":[139],"mononuclear":[144],"complex,":[146],"discussed":[148],"terms":[150],"conformational":[153],"mobility":[154],"loop.":[159]},"counts_by_year":[{"year":2021,"cited_by_count":2},{"year":2020,"cited_by_count":1},{"year":2019,"cited_by_count":1},{"year":2017,"cited_by_count":2},{"year":2016,"cited_by_count":3},{"year":2015,"cited_by_count":5},{"year":2014,"cited_by_count":3},{"year":2013,"cited_by_count":5},{"year":2012,"cited_by_count":8}],"updated_date":"2026-09-22T06:50:58.402377","created_date":"2016-06-24T00:00:00"}
