The Crystal and Molecular Structure of 3-Oxo-17β-acetoxy-Δ4-14α-methyl-8α, 9β, 10α, 13α-estrene |
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Authors: | Gunji Koyama |
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Abstract: | The crystal and molecular structure of 3-oxo-17β-acetoxy-Δ4-14α-methyl-8α, 9β, 10α, 13α-estrene, C21H30O3, has been determined by X-ray diffraction analysis. The crystals belong to the orthorhombic space group P212121, with the cell dimensions a = 12.093 Å, b = 19.667 Å, c = 7.746 Å; Z = 4. Intensity data were collected at room temperature with an automatic four-circle diffractometer. The structure was solved by direct methods and the parameters were refined by least-squares analysis. All the hydrogen atoms were included in the refinement. The final R value was 0.038 for 1413 observed reflections. The conformation of ring A is intermediate between a half-chair and a 1, 2-diplanar form. The hydrogens at C(9) and C(10) are anti, the B/C ring junction is trans, and rings B and C adopt chair conformations. Ring D is cis fused and is halfway between C2 and Cs forms. |
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