International Tables for Crystallography (2006). Vol. F. ch. 24.3, pp. 663-668
https://doi.org/10.1107/97809553602060000720

Chapter 24.3. The Cambridge Structural Database (CSD)

Contents

  • 24.3. The Cambridge Structural Database (CSD)  (pp. 663-668) | html | pdf | chapter contents |
    F. H. Allen and V. J. Hoy
    • 24.3.1. Introduction and historical perspective  (p. 663) | html | pdf |
    • 24.3.2. Information content of the CSD  (pp. 663-665) | html | pdf |
      • 24.3.2.1. Acquisition of information  (p. 663) | html | pdf |
      • 24.3.2.2. Data organization  (pp. 663-664) | html | pdf |
      • 24.3.2.3. 1D bibliographic and chemical data  (p. 664) | html | pdf |
      • 24.3.2.4. 2D chemical connectivity data  (p. 664) | html | pdf |
      • 24.3.2.5. 3D crystal structure data  (p. 664) | html | pdf |
      • 24.3.2.6. Derived data and bit-encoded information  (pp. 664-665) | html | pdf |
      • 24.3.2.7. Data validation  (p. 665) | html | pdf |
      • 24.3.2.8. The CSD-Use database  (p. 665) | html | pdf |
    • 24.3.3. The CSD software system  (pp. 665-666) | html | pdf |
      • 24.3.3.1. Overview  (p. 665) | html | pdf |
      • 24.3.3.2. PreQuest  (p. 665) | html | pdf |
      • 24.3.3.3. Searching the CSD: Quest3D and ConQuest  (p. 665) | html | pdf |
      • 24.3.3.4. Quest3D  (pp. 665-666) | html | pdf |
      • 24.3.3.5. ConQuest  (p. 666) | html | pdf |
      • 24.3.3.6. Vista  (p. 666) | html | pdf |
      • 24.3.3.7. Pluto  (p. 666) | html | pdf |
      • 24.3.3.8. Use of the CSD software system: an example  (p. 666) | html | pdf |
    • 24.3.4. Knowledge engineering from the CSD  (pp. 667-668) | html | pdf |
      • 24.3.4.1. Databases versus knowledge bases  (pp. 667-668) | html | pdf |
      • 24.3.4.2. IsoStar: a library of knowledge about intermolecular interactions  (p. 668) | html | pdf |
    • 24.3.5. Accessing the CSD system and IsoStar  (p. 668) | html | pdf |
      • 24.3.5.1. Release mechanisms  (p. 668) | html | pdf |
      • 24.3.5.2. Information about the CCDC  (p. 668) | html | pdf |
    • 24.3.6. Conclusion  (p. 668) | html | pdf |
    • Figures
      • Fig. 24.3.1.1. Growth of the CSD since 1970 expressed in terms of the number of structures published per annum  (p. 663) | html | pdf |
      • Fig. 24.3.2.1. Information content of the Cambridge Structural Database (CSD)  (p. 664) | html | pdf |
      • Fig. 24.3.2.2. 2D chemical connectivity data for a simple organic molecule  (p. 664) | html | pdf |
      • Fig. 24.3.3.1. Summary of the software components of the Cambridge Structural Database system (CSDS)  (p. 665) | html | pdf |
      • Fig. 24.3.3.2. The keto···hydroxyl fragment described in the example of CSDS usage  (p. 666) | html | pdf |
      • Fig. 24.3.3.3. A typical Quest3D graphics screen showing how search hits are visualized and manipulated  (p. 667) | html | pdf |
      • Fig. 24.3.3.4. A Vista histogram of the hydrogen-bond distance  (p. 667) | html | pdf |
      • Fig. 24.3.3.5. A Vista scatterplot of the hydrogen-bond length (DOH) versus the O—H···O angle (AH)  (p. 667) | html | pdf |
      • Fig. 24.3.3.6. A Vista polar scatterplot of THETA versus PHI  (p. 668) | html | pdf |
    • Tables
      • Table 24.3.1.1. CSD statistics (August 2000)  (p. 663) | html | pdf |