The Cambridge Structural Database

被引:7513
|
作者
Groom, Colin R. [1 ]
Bruno, Ian J. [1 ]
Lightfoot, Matthew P. [1 ]
Ward, Suzanna C. [1 ]
机构
[1] Cambridge Crystallog Data Ctr, 12 Union Rd, Cambridge CB2 1E2, England
关键词
Cambridge Structural Database; CIF archive; open data; crystal structure database; CRYSTAL-STRUCTURES; CHEMICAL-STRUCTURE; CRYSTALLOGRAPHY; INFORMATION; FILE; CAPABILITIES; DIFFRACTION; KNOWLEDGE; MOLECULE; GEOMETRY;
D O I
10.1107/S2052520616003954
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The Cambridge Structural Database (CSD) contains a complete record of all published organic and metal-organic small-molecule crystal structures. The database has been in operation for over 50 years and continues to be the primary means of sharing structural chemistry data and knowledge across disciplines. As well as structures that are made public to support scientific articles, it includes many structures published directly as CSD Communications. All structures are processed both computationally and by expert structural chemistry editors prior to entering the database. A key component of this processing is the reliable association of the chemical identity of the structure studied with the experimental data. This important step helps ensure that data is widely discoverable and readily reusable. Content is further enriched through selective inclusion of additional experimental data. Entries are available to anyone through free CSD community web services. Linking services developed and maintained by the CCDC, combined with the use of standard identifiers, facilitate discovery from other resources. Data can also be accessed through CCDC and third party software applications and through an application programming interface.
引用
下载
收藏
页码:171 / 179
页数:9
相关论文
共 50 条
  • [21] Applications of the Cambridge Structural Database to molecular inorganic chemistry
    Orpen, AG
    ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 2002, 58 (3 PART 1): : 398 - 406
  • [22] A study of methanol solvates using the Cambridge structural database
    Brychczynska, Monika
    Davey, Roger James
    Pidcock, Elna
    NEW JOURNAL OF CHEMISTRY, 2008, 32 (10) : 1754 - 1760
  • [23] Hydration in molecular crystals - A Cambridge Structural Database analysis
    Gillon, AL
    Feeder, N
    Davey, RJ
    Storey, R
    CRYSTAL GROWTH & DESIGN, 2003, 3 (05) : 663 - 673
  • [24] Using the Cambridge Structural Database to validate powder structures
    Barr, G.
    Dong, W.
    Gilmore, C. J.
    Kern, A.
    Parkin, A.
    Wilson, C. C.
    ZEITSCHRIFT FUR KRISTALLOGRAPHIE, 2007, : 209 - 214
  • [25] Aromaticity of benzene derivatives: an exploration of the Cambridge Structural Database
    Majerz, Irena
    Dziembowska, Teresa
    ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 2018, 74 : 148 - 151
  • [26] Celebrating women in crystallography through the Cambridge Structural Database
    Ward, Swanna
    Lightfoot, Matthew
    ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2018, 74 : E160 - E160
  • [27] WebCSD: bringing the Cambridge Structural Database to undergraduate teaching
    Battle, Gary M.
    ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2011, 67 : C209 - C209
  • [28] USE OF VECTOR PROCESSING TO SEARCH THE CAMBRIDGE STRUCTURAL DATABASE
    THIERS, AHM
    NOORDIK, JH
    BOERHOUT, J
    JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1990, 30 (01): : 19 - 22
  • [29] Automatic detection of molecular symmetry in the Cambridge Structural Database
    Cole, JC
    Yao, JW
    Shields, GP
    Motherwell, WDS
    Allen, FH
    Howard, JAK
    ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 2001, 57 : 88 - 94
  • [30] Use of the Cambridge Structural Database in the undergraduate chemistry curriculum
    Royappa, Arun
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2019, 258