Crystal and molecular structure of 17β-hydroxyandrost-4-en-3-one (testosterone)

Abstract

epimeric steroid structures [( 111) and (IV), (V) and (VI)] for which X-ray results are available.

Structure cristalline et moléculaire de la nor-19 testosterone

“…Apr~s l'6tude de la conformation des diff6rentes formes cristallines de la testosterone (Precigoux, Hospital & van den Bosche, 1973;Busetta, Courseille, Leroy & Hospital, 1972;Roberts, Pettersen, Sheldrick, Isaacs & Kennard, 1973), il 6tait intdressant de voir si l'absence d'un substituant sur le carbone C(10) modifiait le squelette du st6roide. L'analyse conformationnelle de la nor-19 testosterone (C1sH2602) sugg~re la possibilit6…”

Cannabidiol

“…Two atoms of the cyclohexene ring were missing from one molecule; all other missing atoms were the terminal portions of the n-pentyl side chains. Figures of merit were NQEST -0.208, R A (a point-atom R factor based on observed peaks) 0.362, Ra (Roberts et al, 1973) 0-142. The second E map (NQEST-O.…”

“…The structure was solved with XCSD, which incorporates a pseudo-tangent refinement to select the starting set (Roberts, Pettersen, Sheldrick, Isaacs & Kennard, 1973) and the negative quartet test NQEST (De Titta, Edmonds, Langs & Hauptman, 1975). The best E map established positions for 37 heavy atoms; only 5 small peaks in the top 42 were false.…”

4,7-Dimethoxy-5-methylphthalide

“…The 15 highest peaks in the E map calculated from the phase set of lowest R,~ (=0. 165) (Roberts, Pettersen, Sheldrick, Isaacs & Kennard, 1973) corresponded to the 15 non-hydrogen atoms of the molecule. (Sutton, 1965).…”