{"id":"https://openalex.org/W4397098023","doi":"https://doi.org/10.5517/cc1j4fgk","title":"CCDC 1404438: Experimental Crystal Structure Determination","display_name":"CCDC 1404438: Experimental Crystal Structure Determination","publication_year":2015,"publication_date":"2015-01-01","ids":{"openalex":"https://openalex.org/W4397098023","doi":"https://doi.org/10.5517/cc1j4fgk"},"language":"en","primary_location":{"id":"pmh:oai:open.clemson.edu:all_data-3128","doi":null,"is_oa":false,"landing_page_url":"https://open.clemson.edu/all_data/2128","pdf_url":null,"source":{"id":"https://openalex.org/S4377196397","display_name":"TigerPrints (Clemson University)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I8078737","host_organization_name":"Clemson University","host_organization_lineage":["https://openalex.org/I8078737"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"All Data Sets","raw_type":"text"},"volume":null,"type":"article","indexed_in":["datacite"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://doi.org/10.5517/cc1j4fgk","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5031469439","display_name":"Manuel N. Chaur","orcid":"https://orcid.org/0000-0002-9845-9252","observed_orcids":["https://orcid.org/0000-0002-9845-9252"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Chaur, Manuel N.","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5065877438","display_name":"Xavier Aparicio\u2010Angl\u00e8s","orcid":"https://orcid.org/0000-0001-6216-8392","observed_orcids":["https://orcid.org/0000-0001-6216-8392"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Aparicio-Angl\u00e8s, Xavier","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5038732109","display_name":"Brandon Q. Mercado","orcid":"https://orcid.org/0000-0002-1940-3497","observed_orcids":["https://orcid.org/0000-0002-1940-3497"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Mercado, Brandon Q.","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5034039417","display_name":"Bevan Elliott","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Elliott, Bevan","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5056756074","display_name":"Antonio Rodr\u00edguez\u2010Fortea","orcid":"https://orcid.org/0000-0001-5884-5629","observed_orcids":["https://orcid.org/0000-0001-5884-5629"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Rodr\u00edguez-Fortea, Antonio","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5053751738","display_name":"Anna Clotet","orcid":"https://orcid.org/0000-0003-0543-6607","observed_orcids":["https://orcid.org/0000-0003-0543-6607"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Clotet, Anna","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5009326683","display_name":"Marilyn M. Olmstead","orcid":"https://orcid.org/0000-0002-6160-1622","observed_orcids":["https://orcid.org/0000-0002-6160-1622"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Olmstead, Marilyn M.","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5067879544","display_name":"Alan L. Balch","orcid":"https://orcid.org/0000-0002-8813-6281","observed_orcids":["https://orcid.org/0000-0002-8813-6281"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Balch, Alan L.","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5006581201","display_name":"Josep Maria Poblet","orcid":"https://orcid.org/0000-0002-4533-0623","observed_orcids":["https://orcid.org/0000-0002-4533-0623"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Poblet, Josep M.","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"last","author":{"id":"https://openalex.org/A5061545910","display_name":"Luis A. Echegoyen","orcid":"https://orcid.org/0000-0003-1107-9423","observed_orcids":["https://orcid.org/0000-0003-1107-9423"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Echegoyen, Luis","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":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.32119526,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10464","display_name":"Crystal structures of chemical compounds","score":0.9994999766349792,"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"}},"topics":[{"id":"https://openalex.org/T10464","display_name":"Crystal structures of chemical compounds","score":0.9994999766349792,"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":9.999999747378752e-05,"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"}},{"id":"https://openalex.org/T10939","display_name":"Crystal Structures and Properties","score":0.0,"subfield":{"id":"https://openalex.org/subfields/2504","display_name":"Electronic, Optical and Magnetic Materials"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[],"concepts":[{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.6346956491470337},{"id":"https://openalex.org/C115624301","wikidata":"https://www.wikidata.org/wiki/Q895901","display_name":"Crystal structure","level":2,"score":0.5877517461776733},{"id":"https://openalex.org/C2781285689","wikidata":"https://www.wikidata.org/wiki/Q21921428","display_name":"Crystal (programming language)","level":2,"score":0.546245813369751},{"id":"https://openalex.org/C2781311116","wikidata":"https://www.wikidata.org/wiki/Q83306","display_name":"Group (periodic table)","level":2,"score":0.5257183909416199},{"id":"https://openalex.org/C2778572836","wikidata":"https://www.wikidata.org/wiki/Q380933","display_name":"Space (punctuation)","level":2,"score":0.5175637602806091},{"id":"https://openalex.org/C207114421","wikidata":"https://www.wikidata.org/wiki/Q133900","display_name":"Diffraction","level":2,"score":0.4942364990711212},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.4662688374519348},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.38361671566963196},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.35370656847953796},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3105906844139099},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.30753347277641296},{"id":"https://openalex.org/C120665830","wikidata":"https://www.wikidata.org/wiki/Q14620","display_name":"Optics","level":1,"score":0.1117023229598999},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.0}],"mesh":[],"locations_count":3,"locations":[{"id":"pmh:oai:open.clemson.edu:all_data-3128","doi":null,"is_oa":false,"landing_page_url":"https://open.clemson.edu/all_data/2128","pdf_url":null,"source":{"id":"https://openalex.org/S4377196397","display_name":"TigerPrints (Clemson University)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I8078737","host_organization_name":"Clemson University","host_organization_lineage":["https://openalex.org/I8078737"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"All Data Sets","raw_type":"text"},{"id":"pmh:oai:tigerprints.clemson.edu:all_data-3128","doi":null,"is_oa":false,"landing_page_url":"https://tigerprints.clemson.edu/all_data/2128","pdf_url":null,"source":{"id":"https://openalex.org/S4377196397","display_name":"TigerPrints (Clemson University)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I8078737","host_organization_name":"Clemson University","host_organization_lineage":["https://openalex.org/I8078737"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"All Data Sets","raw_type":"text"},{"id":"doi:10.5517/cc1j4fgk","doi":"https://doi.org/10.5517/cc1j4fgk","is_oa":true,"landing_page_url":"https://doi.org/10.5517/cc1j4fgk","pdf_url":null,"source":{"id":"https://openalex.org/S4397694588","display_name":"The Cambridge Structural Database","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I4210098980","host_organization_name":"Cambridge Crystallographic Data Centre","host_organization_lineage":["https://openalex.org/I4210098980"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Dataset"}],"best_oa_location":{"id":"doi:10.5517/cc1j4fgk","doi":"https://doi.org/10.5517/cc1j4fgk","is_oa":true,"landing_page_url":"https://doi.org/10.5517/cc1j4fgk","pdf_url":null,"source":{"id":"https://openalex.org/S4397694588","display_name":"The Cambridge Structural Database","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I4210098980","host_organization_name":"Cambridge Crystallographic Data Centre","host_organization_lineage":["https://openalex.org/I4210098980"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Dataset"},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W4397334754","https://openalex.org/W4397515337","https://openalex.org/W4397110901","https://openalex.org/W4397377885","https://openalex.org/W4397106213","https://openalex.org/W4397083806","https://openalex.org/W4397166162","https://openalex.org/W4397113030","https://openalex.org/W4397153321","https://openalex.org/W4397187693"],"abstract_inverted_index":{"An":[0],"entry":[1,16,30],"from":[2,20,34],"the":[3,7,35],"Cambridge":[4],"Structural":[5],"Database,":[6],"world\u2019s":[8],"repository":[9],"for":[10,28],"small":[11],"molecule":[12],"crystal":[13,22],"structures.":[14],"The":[15,25],"contains":[17],"experimental":[18,46],"data":[19],"a":[21],"diffraction":[23],"study.":[24],"deposited":[26],"dataset":[27],"this":[29],"is":[31],"freely":[32],"available":[33],"CCDC":[36],"and":[37,48],"typically":[38],"includes":[39],"3D":[40],"coordinates,":[41],"cell":[42],"parameters,":[43],"space":[44],"group,":[45],"conditions":[47],"quality":[49],"measures.":[50]},"counts_by_year":[],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2024-05-19T00:00:00"}