Published on 01 January 2025
CCDC 2421271: Experimental Crystal Structure Determination
View DatasetZadorozhnyi, Roman;Quinn, Caitlin M.;Zadrozny, Kaneil K.;Ablan, Sherimay D.;Kennedy, Brandon J.;Yap, Glenn P. A.;Sanner, Daniel;Kraml, Christina;Freed, Eric O.;Ganser-Pornillos, Barbie K.;Pornillos, Owen;Gronenborn, Angela M.;Polenova, Tatyana
Description
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
Citations (1)
- https://doi.org/10.1021/jacs.5c08455DataCite
Cited on 09 September 2025
Weight: 1.00
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Publication Details
Subfield
Artificial Intelligence
Field
Computer Science
Domain
Physical Sciences
Confidence Score
66%
Source
Open Alex
Keywords
Crystal StructureExperimental 3D CoordinatesCrystal SystemSpace GroupCell ParametersCrystallography1-{2-(4-t-butylphenyl)-2-[(2,3-dihydro-1H-inden-2-yl)amino]ethyl}-3-(trifluoromethyl)pyridin-2(1H)-one