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相关软件或概念：CCDC[1]; CIF[2] 当申请CCDC号的CIF文件已经发表时，上传的CIF文件会出现在My Structures列表中，但不会分配CCDC号，Status为Published，如图1所示，并会收到邮件告知该结构发表的论文DOI，然后过一段时间就会从My Structures列表中消失。 ▲图1 My Structures列表未分配CCDC号的数据 案例1： New J. Chem. 2018, 42, 1673–1681. DOI：10.1039/C7NJ03799F CCDC：1555510 上传相应的CIF文件申请CCDC后收到如下回复邮件： 邮件标题：Unableto replace published data as new differ DearDepositor, Thankyou for depositing your data with us. Unfortunately,on this occasion, we are unable to replace the data for Deposition Number1555510 with the data you have just supplied us with. This is because the studyhas been previously published (10.1039/C7NJ03799F) in the scientific paper andaccording to our policy deposited compound must correspond with the publishedinformation. Wecan only replace the CIF file of the published data if there is also acorrection to the publication being issued. Please inform us if this is yourintention. KindRegards, TheCSD Team CambridgeCrystallographic Data Centre http://www.ccdc.cam.ac.uk/ deposit@ccdc.cam.ac.uk Ifyou’d like to be kept up to date with the latest research, insights, news andevents from the world of structural chemistry, as well as industry-relevantfree resources and upcoming webinars, subscribe to our newsletter below: https://info.ccdc.cam.ac.uk/email-subscribe 案例2： J. Org. Chem. 2020, 85, 691–701. DOI：10.1021/acs.joc.9b02766 CCDC：1903279 上传相应的CIF文件申请CCDC后收到如下回复邮件： 邮件标题：Dataidentical to a Deposition Number published by someone else DearDepositor, Thankyou for your recent deposit, unfortunately, the data appeared to be nearlyidentical to Deposition Number 1903279 which is already in the CSD/ICSD andpublished in: DOI:10.1021/acs.joc.9b02766 whichwas published by different authors. Ifthis is indeed the same data and you are not an author of the data, then wewould obviously not want to associate your name to someone else’s data in theCSD/ICSD but you are welcome to reference data already in the CSD/ICSD in yourpublication and you do not need to re-submit the data to do this. To referenceexisting CSD/ICSD structures in your publication then please follow theguidelines on our FAQ which can be found here: https://www.ccdc.cam.ac.uk/support-and-resources/support/case/?caseid=b709ea14-188b-44b2-9232-2b9d18771c1d Sincethis data appears to have been published previously by different authors wehave not currently associated your name to the data. If you are in fact anauthor of the original data, then our sincere apologies. If this is the casewould it be possible to ask the contact author on the original publication toconfirm this to us? Ifyou have any questions, queries or concerns on any of the above then please donot hesitate to contact us and we would be happy to discuss this further. I amsure you can appreciate that we have to deal with a huge amount of data whencreating the CSD/ICSD and we try our best to maintain the integrity of thedatabase, but we value your help and understanding in this process. KindRegards, TheCSD Team CambridgeCrystallographic Data Centre http://www.ccdc.cam.ac.uk/ deposit@ccdc.cam.ac.uk Ifyou’d like to be kept up to date with the latest research, insights, news andevents from the world of structural chemistry, as well as industry-relevantfree resources and upcoming webinars, subscribe to our newsletter below: https://info.ccdc.cam.ac.uk/email-subscribe 相关视频： 申请CCDC的CIF已发表是什么情况：https://www.bilibili.com/video/BV1Av421C7KX 参考文献 [1](a) Allen, F. H. The Cambridge Structural Database: a quarter of a millioncrystal structures and rising. ActaCryst. 2002, B58, 380–388. (b) Allen, F. H. TheCambridge Structural Database: a quarter of a million crystal structures andrising. Acta Cryst. 2016, B72, 171–179. [2](a) Hall, S. R.; Allen, F. H. Brown, I. D. The Crystallographic InformationFile (CIF): a New Standard Archive File for Crystallography. Acta Cryst. 1991, A47, 655–685. (b)Hall, S. R. The STAR File: A New Format for Electronic Data Transfer andArchiving. J. Chem. Inf. Comput. Sci.1991, 31, 326–333. (c) Hall, S. R.; Spadaccini, N. The STAR File:Detailed Specifications. J. Chem. Inf.Comput. Sci. 1994, 34, 505–508.
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发表于 2025-4-30 09:24:11
