Structure of 21-fluoro-4,9(11)-pregnadiene-3,20-dion-17α-yl acetate, C23H29O4F

Zdzisław Gałdecki*, Paweł Grochulski, Zdzisław Wawrzak, William L. Duax, Phyllis D. Strong

*Corresponding author for this work

    Research output: Contribution to journalArticlepeer-review

    2 Scopus citations

    Abstract

    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 languageEnglish (US)
    Pages (from-to)441-445
    Number of pages5
    JournalJournal of Crystallographic and Spectroscopic Research
    Volume20
    Issue number5
    DOIs
    StatePublished - Oct 1 1990

    ASJC Scopus subject areas

    • Structural Biology
    • Condensed Matter Physics
    • Spectroscopy

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