Ontology highlight
ABSTRACT:
SUBMITTER: Cui P
PROVIDER: S-EPMC6991173 | biostudies-literature | 2019 Nov
REPOSITORIES: biostudies-literature
Cui Peng P McMahon David P DP Spackman Peter R PR Alston Ben M BM Little Marc A MA Day Graeme M GM Cooper Andrew I AI
Chemical science 20190917 43
Organic molecules tend to close pack to form dense structures when they are crystallised from organic solvents. Porous molecular crystals defy this rule: they contain open space, which is typically stabilised by inclusion of solvent in the interconnected pores during crystallisation. The design and discovery of such structures is often challenging and time consuming, in part because it is difficult to predict solvent effects on crystal form stability. Here, we combine crystal structure predictio ...[more]