Supporting Information for: "A prolific solvate former, galunisertib, under the pressure of crystal structure prediction, produces ten diverse polymorphs"

  • Rajni M. Bhardwaj (Creator)
  • Jennifer A. McMahon (Creator)
  • Jonas Nyman (Creator)
  • Louise S Price (Creator)
  • Sumit Konar (Creator)
  • Iain Oswald (Creator)
  • Colin R. Pulham (Creator)
  • Sarah L. Price (Creator)
  • Susan M. Reutzel-Edens (Creator)

Dataset

Description

The Supporting Information is available free of charge on the ACS Publications website at DOI: https://pubs.acs.org/doi/suppl/10.1021/jacs.9b06634

- Crystal structures for the experimental forms (CIF)
- Crystal structures for CSP1 (CIF)
- Crystal structures for CSP2 (CIF)
- Crystallography (powder, single crystal), solid form screen details, crystal structure prediction study details, solubility, solid form characterization (solid-state NMR spectroscopy, GVS, differential scanning calorimetry, solubility), hydrogen-bond propensity analysis, and full interaction maps (PDF)

Crystallographic information file
- ja9b06634_si_001.cif (23.87 MB)
- ja9b06634_si_002.cif (863.31 kb)
- ja9b06634_si_003.cif (2.77 MB)

PDF
- ja9b06634_si_004.pdf (5.37 MB)
Date made available30 Aug 2019
PublisherAmerican Chemical Society

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