Results 1 to 10 of about 579,058 (319)

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, Clare A. Tovee, Stephen J.W. Holgate, Natalie T. Johnson, Matthew P. Lightfoot, Kamila L. Nowakowska-Orzechowska, Suzanna C. Ward   +6 more
doaj   +5 more sources

The Cambridge Structural Database and structural dynamics [PDF]

Structural Dynamics
With 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
doaj   +5 more sources

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, Bruno IJ, Lightfoot MP, Ward SC.   +3 more
europepmc   +5 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, Barclay JA, Begg CS, Xuan J, Kitching MO.   +4 more
europepmc   +5 more sources

Continuous Invariant-Based Maps of the Cambridge Structural Database. [PDF]

Cryst Growth Des
The 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   +4 more sources

Insights into coordination and ligand trends of lanthanide complexes from the Cambridge Structural Database [PDF]

Scientific Reports
Understanding lanthanide coordination chemistry can help develop new ligands for more efficient separation of lanthanides for critical materials needs.
Shicheng Li, Santa Jansone-Popova, De-en Jiang   +2 more
doaj   +3 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, Seth Wiggin, Francesca Stanzione   +2 more
doaj   +3 more sources

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, Bruno IJ, Cole JC, Macrae CF, Pidcock E, Wood PA.   +5 more
europepmc   +5 more sources

New software for statistical analysis of Cambridge Structural Database data. [PDF]

J Appl Crystallogr, 2011
A collection of new software tools is presented for the analysis of geometrical, chemical and crystallographic data from the Cambridge Structural Database (CSD). This software supersedes the programVista. The new functionality is integrated into the programMercuryin order to provide statistical, charting and plotting options alongside three-dimensional
Sykes RA, McCabe P, Allen FH, Battle GM, Bruno IJ, Wood PA.   +5 more
europepmc   +5 more sources

A survey of thermal expansion coefficients for organic molecular crystals in the Cambridge Structural Database. [PDF]

Acta Crystallogr B Struct Sci Cryst Eng Mater, 2021
Thermal expansion coefficients are calculated for 6201 molecular crystals in the Cambridge Structural Database and the distributions of the values are assessed.
Bond AD.
europepmc   +2 more sources