CSD
E474954
CSD is the Cambridge Structural Database, a comprehensive repository of small-molecule crystal structures maintained by the Cambridge Crystallographic Data Centre.
Statements (62)
| Predicate | Object |
|---|---|
| instanceOf |
chemical database
ⓘ
crystallographic database ⓘ scientific database ⓘ |
| abbreviation | CSD NERFINISHED ⓘ |
| accessModel |
academic licensing
ⓘ
industrial licensing ⓘ subscription-based ⓘ |
| associatedSoftware |
CSD-CrossMiner
NERFINISHED
ⓘ
CSD-Discovery NERFINISHED ⓘ CSD-Materials NERFINISHED ⓘ ConQuest NERFINISHED ⓘ Mercury NERFINISHED ⓘ |
| citationPractice | users are expected to cite the Cambridge Structural Database and the CCDC ⓘ |
| contains |
X-ray diffraction structures
ⓘ
experimentally determined crystal structures ⓘ neutron diffraction structures ⓘ |
| dataFormat |
CIF
ⓘ
CSD proprietary format ⓘ |
| dataType |
atomic coordinates
ⓘ
bibliographic information ⓘ bond angles ⓘ bond lengths ⓘ chemical connectivity ⓘ disorder information ⓘ experimental conditions ⓘ hydrogen-bonding information ⓘ refinement details ⓘ space group information ⓘ three-dimensional molecular structures ⓘ torsion angles ⓘ unit cell parameters ⓘ |
| excludes |
biomacromolecular structures
ⓘ
nucleic acids ⓘ proteins ⓘ |
| field |
chemistry
ⓘ
crystallography ⓘ materials science ⓘ |
| focus |
metal–organic crystal structures
ⓘ
organic crystal structures ⓘ organometallic crystal structures ⓘ small-molecule crystal structures ⓘ |
| fullName | Cambridge Structural Database NERFINISHED ⓘ |
| geographicLocation | Cambridge, United Kingdom NERFINISHED ⓘ |
| hasVersion | periodically updated releases ⓘ |
| maintainedBy | Cambridge Crystallographic Data Centre NERFINISHED ⓘ |
| origin | published crystallographic studies ⓘ |
| publisher | Cambridge Crystallographic Data Centre NERFINISHED ⓘ |
| qualityControl |
automated validation checks
ⓘ
expert curation ⓘ |
| scope | small-molecule structures only ⓘ |
| updateFrequency | regularly updated with new structures ⓘ |
| usedBy |
chemists
ⓘ
crystallographers ⓘ materials scientists ⓘ pharmaceutical researchers ⓘ |
| usedFor |
computational chemistry benchmarking
ⓘ
conformational analysis ⓘ crystal structure analysis ⓘ drug design ⓘ materials design ⓘ structure validation ⓘ supramolecular chemistry studies ⓘ |
Referenced by (1)
Full triples — surface form annotated when it differs from this entity's canonical label.