Towards crystal structure prediction of complex organic compounds – a report on the fifth blind test

Bardwell, D.A.; Adjiman, C.S.; Arnautova, Y.A.; Bartashevich, E.; Boerrigter, S.X.M.; Braun, D.E.; Cruz-Cabeza, A.J.; Day, G.M.; Della Valle, R.G.; Desiraju, G.R.; van Eijck, B.P.; Facelli, J.C.; Ferraro, M.B.; Grillo, D.; Habgood, M.; Hofmann, D.W.M.; Hofmann, F.; Jose, K.V.J.; Karamertzanis, P.G.; Kazantsev, A.V.; Kendrick, J.; Kuleshova, L.N.; Leusen, F.J.J.; Maleev, A.V.; Misquitta, A.J.; Mohamed, S.; Needs, R.J.; Neumann, M.A.; Nikylov, D.; Orendt, A.M.; Pal, R.; Pantelides, C.C.; Pickard, C.J.; Price, L.S.; Price, S.L.; Scheraga, H.A.; van de Streek, J.; Thakur, T.S.; Tiwari, S.; Venuti, E.; Zhitkov, I.K.

doi:10.1107/S0108768111042868

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

IUCr IT WDC

home archive editors for authors for readers submit subscribe open access

view article

Figure 8
Overlay of the unit-cell contents of the observed crystal structure (XXI) (green) and Day et al. (XXI).12 (red, left image). RMSD 0.159 Å, and van Eijck (XXI).1 (red, right image), RMSD 0.219 Å

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 67| Part 6| November 2011| Pages 535-551

doi:10.1107/S0108768111042868

Follow Acta Cryst. B

Search term		doi		Advanced search
Author		volume	page