Home - CHEM 416 - X-ray Crystallography - LibGuides at University of Rochester

Structures

Protein Data Bank This link opens in a new window
3-D structural data of large molecules of proteins and nucleic acids.
Cambridge Structural Database This link opens in a new window
Crystal structures of small organic and organometallic molecules.
Special instructions: Use public computers on the first floor of Carlson to access the full version of Cambridge Structural Database. Contact the Chemistry Outreach Librarian with questions.

Cambridge Structural Databases
Client Software available on public computers on the 1st floor of Carlson Library
Use to find typical bond angles, lengths, crystal structures, etc.

Crystallography Journals

Acta crystallographica. Section E, Structure reports online (2008 - present)
The IUCr's open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. Research Communications and Data Reports consists of the published article, HTML and PDF supplements, CIF, structure factors, graphics, and any other submitted supporting information. Research Communications are longer articles describing one or more structure determinations with appropriate discussion of the science. Data Reports are extended abstracts reporting individual structure determinations with comments on the chemical significance of the structure.
Journal of Applied Crystallography (1968 - present)
Many research topics in condensed matter research, materials science and the life sciences make use of crystallographic methods to study crystalline and non-crystalline matter with neutrons, X-rays and electrons. Articles published in the Journal of Applied Crystallography focus on these methods and their use in identifying structural and diffusion-controlled phase transformations, structure-property relationships, structural changes of defects, interfaces and surfaces, etc. Developments of instrumentation and crystallographic apparatus, theory and interpretation, numerical analysis and other related subjects are also covered. The journal is the primary place where crystallographic computer program information is published.
Journal of chemical crystallography. (1994-1996, 2005 - 2009)
The Journal of Chemical Crystallography is an international, interdisciplinary publication dedicated to the rapid dissemination of research results in crystallography and spectroscopy. Coverage includes studies in crystal chemistry and physics and their relation to problems of molecular structure; structural studies of solids, liquids, gases, and solutions involving spectroscopic, spectrometric, X-ray, and electron and neutron diffraction; and theoretical studies.
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1994 - 2004 available in print in Carlson Journals, 1st floor

Off Campus Access

All electronic library resources, including e-journals, databases, and course reserves, are available to current students, faculty, and staff from off-campus using either your My Account/NetID or VPN access. When you click on the link of a restricted library resource from the libraries' website, you will be prompted to login.

NetID
Info about your NetID and password.
Active Directory
Used to login to your Library account (My Account). For most people, it is the same as the NetID.
Remote Access (VPN)
Virtual Private Networking (VPN) establishes a connection so that you appear to be part of the University network. This eliminates repetitive logins. DUO two-factor authentication is necessary to set up your VPN.
DUO two-factor authentication
The University uses Duo to better protect University data. Duo authentication occurs after you log in with your user name and password using a mobile phone, tablet, or landline to verify your identity.

Core Chemistry Databases

CAS SciFinder This link opens in a new window
Identifies articles, patents, conferences, books and dissertations in chemistry and medicine. Search by substance name, structure, substructure, reaction, CAS registry number, molecular formula, organization, research topic and author. Searches Chemical Abstracts, Medline and ChemZent databases simultaneously. Includes PatentPak, MethodsNow and Retrosynthesis Plan A separate registration is required before the first use. See About SciFinder for more detail.
To use off campus, use VPN.

For SciFinder, first time users must register here with your UR email address to obtain a free password.

Reaxys (2017 version) This link opens in a new window
Identifies chemical compound properties, structures, and reactions with references to journal and patent literature of chemistry. The data originates from the Gmelin Handbook of Inorganic Chemistry, the Beilstein Handbuch der organischen Chemie and a Patent Chemistry database. To learn more, see About Reaxys.
Users should update their passwords.
Web of Science This link opens in a new window
Identifies journal articles and cited references to research publications from 1900-current, including all disciplines, some with links to full text. Search for articles and authors, track citations, and analyze citation activity.
Scopus This link opens in a new window
Scopus is the world's largest abstract and citation database of peer-reviewed literature, including scientific journals, books and conference proceedings, covering research topics across all scientific and technical disciplines, ranging from medicine and social sciences to arts and humanities.
VPN required for off-campus access.
Users should update their passwords.
PubMed This link opens in a new window
Identifies articles in clinical and basic biomedical research as well as in psychology, many with links to full text.
PubMed® comprises more than 30 million citations for biomedical literature from MEDLINE, life science journals, and online books. Citations may include links to full-text content from PubMed Central and publisher web sites. Includes access to molecular and bioinformatic databases from the NCBI system (previous Entrez). Automatically expands (explodes) subject headings. Truncation turns off this automatic expansion of the hierarchical subject headings.
American Chemical Society Journals This link opens in a new window
Full text of American Chemical Society journals.
Dimensions This link opens in a new window
Dimensions is a next-generation linked research information system that makes it easier to find and access the most relevant information, analyze the academic and broader outcomes of research, and gather insights to inform future strategy.
Patrons can register using UR credentials.
To request access to Dimensions Google BigQuery, please contact Dale Hess dale.hess@rochester.edu.
Google Scholar This link opens in a new window
For off-campus access to full text: Click Scholar Preferences and add Rochester as your Library Link. Be sure to Save Preferences.

Research Rabbit
AI Tool to find more papers from some good ones. See videos and this
review for more.
Compare Chemistry Databases
Review strengths and weaknesses of core chemistry database based on Sue's knowledge and experience.

CHEM 416 - X-ray Crystallography

STEM Librarian

Structures

Crystallography Journals

Off Campus Access

Related Links

Libraries

Chemistry Department

Other Guides

Core Chemistry Databases