{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,24]],"date-time":"2026-09-24T18:45:05Z","timestamp":1790275505529,"version":"4.1.0"},"reference-count":0,"publisher":"International Union of Crystallography (IUCr)","issue":"1","license":[{"start":{"date-parts":[[2005,1,19]],"date-time":"2005-01-19T00:00:00Z","timestamp":1106092800000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/journals.iucr.org\/services\/copyrightpolicy.html"},{"start":{"date-parts":[[2005,1,19]],"date-time":"2005-01-19T00:00:00Z","timestamp":1106092800000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/journals.iucr.org\/services\/copyrightpolicy.html#TDM"}],"content-domain":{"domain":["iucr.org","wiley.com","iucrj.org"],"crossmark-restriction":true},"short-container-title":["Acta Crystallogr B Struct Sci","Acta Cryst B","Acta Cryst Sect B","Acta Crystallogr B","Acta Crystallogr Sect B","Acta Crystallogr Sect B Struct Sci"],"accepted":{"date-parts":[[2004,11,26]]},"published-print":{"date-parts":[[2005,2,1]]},"abstract":"<jats:p>From pure powders of forms I and II of phenobarbital, X-ray diffraction patterns were recorded at room temperature. The starting crystal structural models were found by a Monte-Carlo simulated annealing method. The structures of the two forms were obtained through Rietveld refinements. Soft restraints were applied on bond lengths and bond angles, all H-atom positions were calculated. The cell of form I is monoclinic with the space group <jats:italic>P<\/jats:italic>2<jats:sub>1<\/jats:sub>\/<jats:italic>n<\/jats:italic>, <jats:italic>Z<\/jats:italic> = 12, <jats:italic>Z<\/jats:italic>\u2032 = 3. Form II has a triclinic cell, with the space group P\\bar 1, <jats:italic>Z<\/jats:italic> = 6, <jats:italic>Z<\/jats:italic>\u2032 = 3. For both forms, the crystal cohesion is achieved by networks of N\u2014H...O hydrogen bonds along [101]. The broadening of the Bragg peak profiles is interpreted in terms of isotropic strain effects and anisotropic size effects.<\/jats:p>","DOI":"10.1107\/s0108768104031143","type":"journal-article","created":{"date-parts":[[2005,1,19]],"date-time":"2005-01-19T14:47:33Z","timestamp":1106146053000},"page":"80-88","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":25,"title":["Structure determination of forms I and II of phenobarbital from X-ray powder diffraction"],"prefix":"10.1107","volume":"61","author":[{"given":"Cyril","family":"Platteau","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jacques","family":"Lefebvre","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Stephanie","family":"Hemon","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Carsten","family":"Baehtz","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Florence","family":"Danede","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Dominique","family":"Prevost","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"329","published-online":{"date-parts":[[2005,1,19]]},"container-title":["Acta Crystallographica Section B Structural Science"],"original-title":[],"link":[{"URL":"http:\/\/journals.iucr.org\/b\/issues\/2005\/01\/00\/lc5012\/lc5012.pdf","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/journals.iucr.org\/b\/issues\/2005\/01\/00\/lc5012\/lc5012.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,1,11]],"date-time":"2025-01-11T14:03:21Z","timestamp":1736604201000},"score":1,"resource":{"primary":{"URL":"https:\/\/journals.iucr.org\/paper?S0108768104031143"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2005,1,19]]},"references-count":0,"journal-issue":{"issue":"1","published-print":{"date-parts":[[2005,2]]}},"alternative-id":["S0108768104031143"],"URL":"https:\/\/doi.org\/10.1107\/s0108768104031143","relation":{"is-supplemented-by":[{"id-type":"doi","id":"10.1107\/S0108768104031143\/lc5012sup1.cif","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S0108768104031143\/lc5012Isup2.rtv","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S0108768104031143\/lc5012IIsup3.rtv","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S0108768104031143\/lc5012sup4.pdf","asserted-by":"subject"}]},"ISSN":["0108-7681"],"issn-type":[{"value":"0108-7681","type":"print"}],"subject":[],"published":{"date-parts":[[2005,1,19]]},"assertion":[{"value":"Acta Crystallographica Section B: Structural Science","order":0,"name":"journal","label":"Publication","explanation":{"URL":"http:\/\/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":"http:\/\/scripts.iucr.org\/cgi-bin\/citedin?lc5012","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":"9 July 2004","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication history"}},{"value":"26 November 2004","order":1,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication history"}},{"value":"19 January 2005","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":"http:\/\/scripts.iucr.org\/cgi-bin\/sendsup?lc5012"}},{"value":"\u00a9 2005 International Union of Crystallography","order":0,"name":"copyright","label":"Copyright","explanation":{"URL":"http:\/\/journals.iucr.org\/services\/copyrightpolicy.html"},"group":{"name":"copyright_and_licensing","label":"Copyright and licencing"}}]}}