Redetermination and absolute configuration of berkeleydione

Andrea Stierle, Donald Stierle, Daniel Decato, H. Stoeckli-Evans

Research output: Contribution to journalArticlepeer-review

Abstract

The crystal structure of the title compound, berkeleydione [systematic name; (5aS,7R,9S,11R,11aS)-methyl 9-hydroxy-1,1,5,7,9,11a-hexamethyl-14-methylidene-3,8,10-trioxo-1,3,4,5a,6,7,8,9,10,11,11a,12-dodecahydro-7,11-methanocyclo-octa[4,5]cyclohepta[1,2-c]pyran-11-carboxylate], C26H32O7, has been reported previously [Stierle et al. (2004). Org. Lett. 6,1049-1052]. However, the absolute configuration could not be determined from the data collected with Mo Ka radiation and has now been determined by refinement of the Flack parameter with data collected using Cu Kα radiation. It is in agreement with the previous circular dichroism assignment, and the crystal packing is similar to that described previously.

Original languageEnglish
Pages (from-to)o248
JournalActa Crystallographica Section E: Structure Reports Online
Volume71
Issue number4
DOIs
StatePublished - Apr 1 2015

Keywords

  • Absolute structure
  • Berkeley pit
  • Crystal structure
  • Helicity rule
  • Resonant scattering

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