TY - JOUR
T1 - Redetermination and absolute configuration of berkeleydione
AU - Stierle, Andrea
AU - Stierle, Donald
AU - Decato, Daniel
AU - Stoeckli-Evans, H.
PY - 2015/4/1
Y1 - 2015/4/1
N2 - 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.
AB - 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.
KW - Absolute structure
KW - Berkeley pit
KW - Crystal structure
KW - Helicity rule
KW - Resonant scattering
UR - http://www.scopus.com/inward/record.url?scp=84928168139&partnerID=8YFLogxK
U2 - 10.1107/S2056989015003965
DO - 10.1107/S2056989015003965
M3 - Article
AN - SCOPUS:84928168139
SN - 1600-5368
VL - 71
SP - o248
JO - Acta Crystallographica Section E: Structure Reports Online
JF - Acta Crystallographica Section E: Structure Reports Online
IS - 4
ER -