World biggest cristal structures repository. For each organic crystal, get its chemical diagram and an interactive 3D model view of the molecule, its author and first publication source.
The Cambridge Crystallographic Data Centre (CCDC) Access Structures service provides an interface for searching, visualizing, and downloading small-molecule organic and metal-organic crystal structures. It aggregates data from the Cambridge Structural Database (CSD) started in 1965, and the Inorganic Crystal Structure Database (ICSD), offering access to over 1.25 million curated entries derived from diffraction experiments. The platform delivers critical structural parameters, including:
- Three-dimensional atomic coordinates and displacement parameters
- Unit cell dimensions, space group symmetry, and crystal system data
- Experimental metadata, including temperature, pressure, and radiation source
- Direct links to primary scientific literature and deposition records
Professionals in pharmaceutical science and material engineering utilize this structural data to drive drug discovery and optimize chemical manufacturing processes. Key applications include:
- Identifying and characterizing polymorphs to ensure regulatory compliance and patent protection
- Designing porous materials and catalysts through structural motif analysis
- Validating experimental powder X-ray diffraction patterns for quality control and phase purity
- Informing computational modeling and molecular dynamics simulations for material innovation
