An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The dataset contains experimental data from a crystal diffraction study, likely including 3D coordinates, cell parameters, and quality measures. The data was deposited by author Joanna Cookney.
Use Cases
- Validate computational chemistry models based on experimental 3D coordinates.
- Analyze molecular geometry and bonding based on cell parameters and space group.
- Assess data quality for structural studies based on experimental conditions and quality measures.
Strengths
- Data originates from the Cambridge Structural Database, described as the world's repository for small molecule crystal structures.
- The description specifies the dataset typically includes 3D coordinates, cell parameters, space group, experimental conditions, and quality measures.
Limitations
- Row count is unknown, which may limit suitability assessment.
- Column-level documentation is absent; field semantics must be inferred after download.
- Last update date is unknown; freshness unverified.
Provenance
- Source
- Cambridge Structural Database (CCDC)
- Collection Method
- Experimental crystal diffraction study.