Results 1 to 10 of about 507,123 (177)
CSD Communications of the Cambridge Structural Database [PDF]
IUCrJ, 2023 The Cambridge Structural Database (CSD) is a collection of over one million experimental three-dimensional structures obtained through crystallographic analyses.
Gregory M. Ferrence +6 more
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The Cambridge Structural Database and structural dynamics [PDF]
Structural DynamicsWith the availability of the computer readable information in the Cambridge Structural Database (CSD), wide ranging, largely automated comparisons of fragment, molecular, and crystal structures have become possible.
Hans-Beat Bürgi
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Characteristic Conformation of Mosher’s Amide Elucidated Using the Cambridge Structural Database [PDF]
Molecules, 2015 Conformations of the crystalline 3,3,3-trifluoro-2-methoxy-2-phenylpropanamide derivatives (MTPA amides) deposited in the Cambridge Structural Database (CSD) were examined statistically as Racid-enantiomers. The majority of dihedral angles (48/58, ca. 83%
Akio Ichikawa, Hiroshi Ono, Yuji Mikata
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The Cambridge Structural Database. [PDF]
Acta Crystallogr B Struct Sci Cryst Eng Mater, 2016 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.
Groom CR +3 more
europepmc +4 more sources
Conglomerate Crystallization in the Cambridge Structural Database (2020-2021). [PDF]
Cryst Growth Des, 2023 Conglomerate crystals are materials capable of undergoing spontaneous resolution and were responsible for the discovery of molecular chirality. Their relevance to modern chemical and crystallographic sciences has been hindered by the difficulty in identifying and searching materials with this characteristic ability to spontaneously bias their own ...
Walsh MP +4 more
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A survey of crystallographic quality metrics from CIFs in the Cambridge Structural Database [PDF]
IUCrJThe Cambridge Structural Database (CSD) is a comprehensive repository of over 1.3 million unique crystallographic datasets, compiled from data deposited at the Cambridge Crystallographic Data Centre (CCDC).
Clare A. Tovee +4 more
doaj +2 more sources
Applications of the Cambridge Structural Database in chemical education. [PDF]
J Appl Crystallogr, 2010 The Cambridge Structural Database (CSD) is a vast and ever growing compendium of accurate three-dimensional structures that has massive chemical diversity across organic and metal-organic compounds. For these reasons, the CSD is finding significant uses in chemical education, and these applications are reviewed.
Battle GM, Ferrence GM, Allen FH.
europepmc +6 more sources
New insights and innovation from a million crystal structures in the Cambridge Structural Database [PDF]
Structural Dynamics, 2019 The Cambridge Structural Database (CSD) is the world's largest and most comprehensive collection of organic, organometallic, and metal-organic crystal structure information.
Jason C. Cole +2 more
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WebCSD: the online portal to the Cambridge Structural Database. [PDF]
J Appl Crystallogr, 2010 WebCSD, a new web-based application developed by the Cambridge Crystallographic Data Centre, offers fast searching of the Cambridge Structural Database using only a standard internet browser. Search facilities include two-dimensional substructure, molecular similarity, text/numeric and reduced cell searching.
Thomas IR +5 more
europepmc +4 more sources
Continuous Invariant-Based Maps of the Cambridge Structural Database. [PDF]
Cryst Growth DesThe Cambridge Structural Database (CSD) played a key role in the recently established crystal isometry principle (CRISP). The CRISP says that any real periodic crystal is uniquely determined as a rigid structure by the geometry of its atomic centers without atomic types.
Widdowson DE, Kurlin VA.
europepmc +3 more sources