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Redetermination and absolute configuration of berkeleydione.

Authors
  • Stierle, Andrea
  • Stierle, Donald
  • Decato, Daniel
Type
Published Article
Journal
Acta Crystallographica Section E Crystallographic Communications
Publisher
International Union of Crystallography
Publication Date
Apr 01, 2015
Volume
71
Issue
Pt 4
Identifiers
DOI: 10.1107/S2056989015003965
PMID: 26029438
Source
Medline
Keywords
License
Unknown

Abstract

The crystal structure of the title compound, berkeleydione [systematic name; (5aS,7R,9S,11R,11aS)-methyl 9-hy-droxy-1,1,5,7,9,11a-hexa-methyl-14-methyl-idene-3,8,10-trioxo-1,3,4,5a,6,7,8,9,10,11,11a,12-dodeca-hydro-7,11-methano-cycloocta-[4,5]cyclo-hepta-[1,2-c]pyran-11-carboxyl-ate], 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 Kα 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.

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