The Cambridge Structural Database: a quarter of a million crystal structures and rising
- PMID: 12037359
- DOI: 10.1107/s0108768102003890
The Cambridge Structural Database: a quarter of a million crystal structures and rising
Abstract
The Cambridge Structural Database (CSD) now contains data for more than a quarter of a million small-molecule crystal structures. The information content of the CSD, together with methods for data acquisition, processing and validation, are summarized, with particular emphasis on the chemical information added by CSD editors. Nearly 80% of new structural data arrives electronically, mostly in CIF format, and the CCDC acts as the official crystal structure data depository for 51 major journals. The CCDC now maintains both a CIF archive (more than 73,000 CIFs dating from 1996), as well as the distributed binary CSD archive; the availability of data in both archives is discussed. A statistical survey of the CSD is also presented and projections concerning future accession rates indicate that the CSD will contain at least 500,000 crystal structures by the year 2010.
Similar articles
-
The Cambridge Structural Database.Acta Crystallogr B Struct Sci Cryst Eng Mater. 2016 Apr;72(Pt 2):171-9. doi: 10.1107/S2052520616003954. Epub 2016 Apr 1. Acta Crystallogr B Struct Sci Cryst Eng Mater. 2016. PMID: 27048719 Free PMC article.
-
The Cambridge Structural Database in retrospect and prospect.Angew Chem Int Ed Engl. 2014 Jan 13;53(3):662-71. doi: 10.1002/anie.201306438. Epub 2014 Jan 2. Angew Chem Int Ed Engl. 2014. PMID: 24382699
-
Small molecule conformational preferences derived from crystal structure data. A medicinal chemistry focused analysis.J Chem Inf Model. 2008 Jan;48(1):1-24. doi: 10.1021/ci7002494. Epub 2008 Jan 10. J Chem Inf Model. 2008. PMID: 18183967 Review.
-
Librarians, crystal structures and drug design.Chem Commun (Camb). 2005 Nov 7;(41):5135-40. doi: 10.1039/b511106b. Epub 2005 Sep 30. Chem Commun (Camb). 2005. PMID: 16228017 Review.
-
Applications of the Cambridge Structural Database in organic chemistry and crystal chemistry.Acta Crystallogr B. 2002 Jun;58(Pt 3 Pt 1):407-22. doi: 10.1107/s0108768102004895. Epub 2002 May 29. Acta Crystallogr B. 2002. PMID: 12037362
Cited by
-
Synthesis, crystal structure and Hirshfeld surface analysis of 4-{(1E)-1-[(car-bamo-thioyl-amino)-imino]-eth-yl}phenyl propano-ate.Acta Crystallogr E Crystallogr Commun. 2024 Apr 18;80(Pt 5):489-494. doi: 10.1107/S2056989024003177. eCollection 2024 Apr 1. Acta Crystallogr E Crystallogr Commun. 2024. PMID: 38721429 Free PMC article.
-
Probing Structural Defects in MOFs Using Water Stability.J Phys Chem C Nanomater Interfaces. 2024 Feb 23;128(9):3975-3984. doi: 10.1021/acs.jpcc.3c07497. eCollection 2024 Mar 7. J Phys Chem C Nanomater Interfaces. 2024. PMID: 38476825 Free PMC article.
-
New Copper Complexes with N,O-Donor Ligands Based on Pyrazole Moieties Supported by 3-Substituted Acetylacetone Scaffolds.Molecules. 2024 Jan 28;29(3):621. doi: 10.3390/molecules29030621. Molecules. 2024. PMID: 38338366 Free PMC article.
-
From Organic Fragments to Photoswitchable Catalysts: The OFF-ON Structural Repository for Transferable Kernel-Based Potentials.J Chem Inf Model. 2024 Feb 26;64(4):1201-1212. doi: 10.1021/acs.jcim.3c01953. Epub 2024 Feb 6. J Chem Inf Model. 2024. PMID: 38319296 Free PMC article.
-
Amidinatotetrylenes Donor Functionalized on Both N Atoms: Structures and Coordination Chemistry.Inorg Chem. 2024 Feb 12;63(6):3118-3128. doi: 10.1021/acs.inorgchem.3c04135. Epub 2024 Jan 30. Inorg Chem. 2024. PMID: 38289155 Free PMC article.
LinkOut - more resources
Full Text Sources
Other Literature Sources