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Chemical & Biomolecular Engineering


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Retirement of SciFinder "Classic" - December 31, 2022

  • On December 31, 2022, the SciFinder “classic” interface will be retired for the University of California system. Going forward, we will only have access to SciFinder-n (or SciFindern, https://scifinder-n.cas.org).

  • Registered SciFinder users should expect to see several emails between now and the end of December reminding you of the change.
  • If you are already using SciFinder-n, there’s nothing you need to do.
  • If you are still using SciFinder “classic,” I do encourage you to begin using SciFinder-n. It’s the same username and password for both systems. If you have the old URL bookmarked, it will redirect to SciFinder-n after December 31.
    • To migrate your saved searches and alerts, login to SciFinder-n, go to Saved and Alerts, then Migrate Alerts & Saved Results. There is more information about migration exceptions within the SciFinder-n help menu (link).

  • CAS has created some good training videos on SciFinder-n (https://www.cas.org/support/training/scifinder-n). There are also some upcoming webinars, and I can offer training to classes, research groups, and individuals.

Updated: Mitchell Brown (June 16, 2022)   contact at mcbrown@uci.edu

Key Websties

* Indicates UCI Access Only

Resources included here are highly recommended for data and special coverage.  For additional resources in Nanotechnology and Crystallography, please consult tab marked Special Resources.

Cambridge Structural Database

Cambridge Structural Database
Cambridge Structural Database (CSD) is the principal product of the Cambridge Crystallographic Data Centre (CCDC) based in Cambridge, UK. It is the central focus of the CSD System, which also comprises software for database access, structure visualization and data analysis, and structural knowledge bases derived from the CSD. It will primarily serve those affiliated with the Departments of Chemistry, Materials Science and Chemical Engineering or anyone interested in chemical and crystallographic information and x-ray diffraction. It requires site and confirmation codes to register the product after it is installed and for the quarterly updates. The complete packages are several Gigabytes in size and are compatible with Linux, Unix and Windows platforms and also available for Apple/Mac installations. It requires that you download data onto your own computer and will not be accessible on any of the Library computers. Before downloading on a laboratory or campus computer, make sure that the files can be accommodated. Please read all the documentation for this resource providing information about the current version and how to reference the data from the different sets. This database does require a robust computer system with a significant capacity for storage and manipulation as the files are very large. Please also remember the database shall be used exclusively for the purpose of scientific teaching and research and that the results of such research may be published through the normal academic channels, subject to the inclusion of a proper acknowledgment to the CCDC as noted in Part IV of the Schedule to the licensed agreement known as Acknowledgments at http://software.chem.ucla.edu/csd/ Additional documentation is also at the prior URL.

The CSD records bibliographic, chemical and crystallographic information for:
* organic molecules
* metal-organic compounds

...whose 3D structures have been determined using
* X-ray diffraction
* neutron diffraction

The CSD records results of:
* single crystal studies
* powder diffraction studies
which yield 3D atomic coordinate data for at least all non-H atoms. In some cases the CCDC is unable to obtain coordinates, and incomplete entries are archived to the CSD.

The CSD includes crystal structure data arising from:
* publications in the open literature
* Private Communications to the CSD (via direct data deposition)

The CSD DOES NOT store:
* Polypeptides and polysaccharides having more than 24 units. These
are recorded in the Protein Data Bank http://www.rcsb.org/pdb/
* Oligonucleotides. These are stored in the Nucleic Acids Data Bank
http://ndbserver.rutgers.edu/
* Inorganic structures, which are stored in the Inorganic Crystal
Structure Database http://www.fiz-karlsruhe.de/icsd_content.html
* Metals and Alloys, which are stored in CRYSTMET®
http://www.tothcanada.com/

For additional information, please Mitchell Brown, Chemistry Librarian at mcbrown@uci.edu or x49732.