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Crystallography: Cambridge Structural Database

Cambridge Structural Database - Access Options

Cambridge Structural Database (CSD), from the Cambridge Crystallographic Data Centre (CCDC) is the world's largest repository, for small-molecule organic and metal-organic crystal structures, with more than 1 million curated entries from x-ray and neutron diffraction analyses. Along with data about the crystal structure, each entry includes chemical/physical property data and associated journal article references.

UC San Diego faculty, staff and students can access CSD two ways: 

CSD-Enterprise

 

Documentation from CCDC

The principal suite of CCDC crystallography databases and programs The "power user" version that includes: ConQuest, Mercury, Hermes, CSD-CrossMiner, enCIFer, GOLD, SuperStar, Mogul, CSD-Editor, IsoStar, and CSD Python API. With the 2023.1 release, you can select which programs you want to download and install.

To download and install CSD Enterprise:

  1. Get the UC San Diego campus number and activation key from the UC distribution site. VPN is required to access this page.
  2. Complete the CSDS Downloads Form with your UCSD email address and our customer number and activation key. You will receive links to download the installers for Windows, MacOS, and Linux. The links are only good for 24 hours. You will need to activation key again during the actual installation.  
  3. Instructions for installation: https://www.youtube.com/watch?v=nXfNhO0eV_o

WebCSD

Online access to the Cambridge Structural Database, if you just want to search substances and view the associated crystallographic, chemical, or bibliographic information for each. 

The basic search interface, "Access Structures," is freely available

However, our licensed access to WebCSD allows you to 1) search by structure, unit cell, or molecular formula, and 2) see all of the crystallographic data provided. 

You either need to run VPN (you'll see licensed to UCSD in the upper right) or create an account and then connect our license to your profile.

  1. Go to Sign In, then register to create a CCDC account.
  2. From your profile, go to Activate WebCSD (under Licenses in left column).
  3. Enter the UCSD site code and license key, and you will need to have VPN running to access this page.