The crystal and molecular structure of 21-fluoro-4,9(ll)-pregnadiene-3,20-dion-17a-yl acetate has been determined by X-ray diffraction methods;P212121, a=15.827(4), b=16.912(4), c=7.513(2) Å, Z=4;R=0.062, (Rw=0.065) for 2028 unique observed reflections. The progesterone side chain has an unusual conformation; the C16-C17-C20-O20 torsion angle is 173.1(4)°. Molecular mechanics calculations suggest that this conformation may be cuased by 17 α-acetoxy substituent and the additional double bond between C9 and C11.
|Original language||English (US)|
|Number of pages||5|
|Journal||Journal of Crystallographic and Spectroscopic Research|
|State||Published - Oct 1 1990|
ASJC Scopus subject areas
- Structural Biology
- Condensed Matter Physics