CCDC




What general information does a CSD entry contain?

Each entry in the Cambridge Structural Database (CSD) corresponds to an individual determination of a specific crystal structure.

Each database entry is identified by a CSD reference code, comprising:

  • six alphabetic characters (e.g. BENZEN) to identify the chemical compound
  • a possible two-digit number (as in BENZEN05, FERROC14, etc.) to identify a specific experimental determination of the crystal structure of BENZEN, FERROC, perhaps by different authors, using a different radiation, at a different temperature, etc.

An example of a typical CSD entry (CSD reference code TUSJIA is illustrated) comprises the information categories indicated.


A more comprehensive overview of the different text items that can be stored with each entry, and where to find these data in ConQuest's results window is provided elsewhere (see Textual Information Content).

  • Text & Numeric

  • 2D Chemical Diagram
  • 3D Crystal Structure

  • Data Validation



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