Published on 01 January 2016
Sixth CCDC Blind Test: Calculated Crystal Structures
View DatasetElking, Dennis M.;Fusti-Molnar, Laszlo
Description
A set of calculated crystal structures for target XXII in the CCDC's sixth blind test of organic crystal-structure prediction methods, corresponding to list 1 of submission 6. These structures are freely available from the CCDC and include 3D coordinates, cell parameters and space group.
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Keywords
Calculated Crystal StructureCalculated 3D CoordinatesCrystal SystemSpace GroupCell Parameters