Crystal Structure and Synthesis of 3β-Benzoyloxy-4-pregnen-16α,17α-epoxy-6,20-dione

    January 2004 in “ Analytical Sciences: X-ray Structure Analysis Online ”
    Manuel Soriano-García, Norma Valencia, Edgar Flores, Eugene Bratoeff, Elena Ramírez, Marisa Cabeza
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    TLDR The document explains how to make a compound called 3.BETA.-Benzoyloxy-4-pregnen-16.ALPHA.,17.ALPHA.-epoxy-6,20-dione and describes its crystal structure.
    The document from 19 years ago detailed the crystal structure and synthesis of 3.BETA.-Benzoyloxy-4-pregnen-16.ALPHA.,17.ALPHA.-epoxy-6,20-dione, a compound with the formula C28H32O5. The compound was found to be monoclinic, P21, with unit-cell dimensions at 293 K being a = 10.1694(8), b = 7.4489(6), c = 15.5492(12)Å, β = 91.772(2)°, V = 1177.30(16)Å3, Dx = 1.265 g/cm3 and Z = 2. The R value was R = 0.040 for 4108 reflections. The compound's A, B, C, and D rings were found to occur in envelope, distorted chair, distorted chair, and distorted envelope conformations respectively. The molecules in the crystal were packed at the normal van der Waals distances.
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