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About the Cambridge Structural Database

The Cambridge Structural Database is only available for use at specific computers in the Chemistry Library. Please inquire at the Chemistry Library circulation desk to be directed to the correct computers.

CSD has long been a databank in which chemists, engineers, and materials scientists have published supplementary structural information for their journal articles. The database currently contains X-ray and neutron diffraction analyses for carbon-containing compounds composed of up to 1000 atoms. Types of substances represented include:

  • Organics
  • Organometallics
  • Metal complexes
  • Compounds of main group elements
  • Peptides of up to 24 residues
  • Mono-, di-, and tri-nucleotides

The database is searchable by structure, text, or the journal article that the crystal structure accompanies, and it permits substructure searching. Entries for each compound include:

  • Complete literature citations (title, author, journal, etc.)
  • Compound information (name, formula, and structural representation in two or three dimensions)
  • Textual information (details of disorder, non-standard experimental conditions, absolute configuration, etc.)
  • Crystallographic information (atomic coordinates, cell parameters, space group, unit cell information, etc.)

For further information, please contact Judith Currano, Chemistry Librarian, at currano@pobox.upenn.edu.

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