
TY  - JOUR
A1  - Mackay, MF 
A1  - Sadek, M 
T1  - The crystal and molecular structure of picrotoxinin
JF  - Australian Journal of Chemistry
JO  - Aust. J. Chem.
Y1  - 1983
VL  - 36
IS  - 10
SP  - 2111
EP  - 2117
KW  - 
UR  - https://doi.org/10.1071/CH9832111 
N2  - X-ray analysis has defined the conformational detail in crystals of picrotoxinin, C15H1606. Crystals are monoclinic: space group PZ1, a 7.719(1), b 12.004(3), c 14.693(4), &#506; &#946; 98.06(1)7#176; and Z 4. The structure was solved by direct methods with diffractometer data measured with Cu K&#945; radiation. Refinement converged at R 0.037 for the 2220 observed terms. The two molecules in the asymmetric unit have essentially identical conformations consistent with one of the two alternative low energy conformations deduced from classical potential energy and molecular orbital calculations. 
ER  -

