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Cambridge Structural Database System

The Cambridge Crystallographic Data Centre is a comprehensive repository of experimentally determined small molecule structures.  Continually updated with new structures and improvements to existing entries, it is a unique teaching resource and an ideal platform for furthering students' understanding of 3D structural chemistry.  It contains an integrated suite of tools available on the computer station in the back corner of the 2nd floor computer lab in the Chester Fritz Library.  Tools included are:

  • ConQuest is the primary platform for using the Crystallographic Data Centre and on the computer's desktop. Search using formulas, drawings, experimental details, and more.
  • Mercury creates 3D visualizations including high resolution image files for publication, 3D printable model files, and animations.
  • Mogul includes a sketching tool for retrieving CSD entries and can batch process files of molecules, ions, and crystal structures.
  • IsoStar provides 3D scatterplots of intermolecular interactions to help users understand the preferred geometry of interactions, the location of the strongest interactions, and whether or not interactions are common.
  • PreQuest converts data and can be used to build a personal database of structures or create structural data files searchable by ConQuest.

Most tools appear as icons on the computer desktop; see the folder labeled CCDC for user guides and additional tools. Basic searching is also available online through CCDC's Access Structures.