ChemInform Abstract: KRISTALLSTRUKTUR ALS STEROIDS 6BETA,7BETA‐METHYLEN‐17BETA‐HYDROXY‐DELTA(4)‐ANDROSTEN‐3‐ON‐17‐ACETAT

Braun, P. B.; Hornstra, J.; Leenhouts, J. I.

doi:10.1002/chin.197030153

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1971

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“…In the following discussion of bond lengths, the values quoted in parentheses are the average bond lengths given by Sutton (1965) In the bromoacetoxy group, O(26)-C(3) is significantly longer and O(26)-C(27) is significantly shorter than normally found. Comparable values, however, have been observed in another steroid acetate side chain by Braun, Hornstra & Leenhouts (1970). The C(27)-O(28) double bond of 1.174 ./t and the C(29)-Br(30) single bond of 1.902 A are both shorter than the corresponding values of 1.233 and 1.938 A given by Sutton (1965).…”

Section: Discussionmentioning

confidence: 53%

The crystal and molecular structure of the steroid C26H34O2NBr

Pollard¹,

Ahmed²

1971

Acta Crystallogr Sect B

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The structure of 3fl-bromoacetoxy-16a-ethyl-162-cyano-162,21-cyclo-5a-pregna-17,2 l-diene has been determined by the heavy atom method, and has been refined by block-diagonal least squares to a final R of 0"047 for the 1717 observed reflexions. The absolute configuration has also been established. It is concluded from the analysis that this steroid has the 16fl-hydrogen configuration, but previous optical dispe1:si9 n studies have shown that its Cotton effect is strongly negative. This structure, therefore, seems to bethe first authentic example of a cisoid diene which is in contrast to the helicity rule. Theumt,cel! !s orthorhomblc, P212121, with a= 13.484, b=22.730, •c= 7.760/~, and Z=4...-.

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Section: Discussionmentioning

confidence: 53%