Crystal and molecular structure of 14-desoxy-14ß-azido-digitoxigenin-3-acetate

The crystal and molecular structure of 14-desoxy-14ß-azido-digitoxigenin-3-acetate was determined by X-ray analysis. The compound crystallizes in the orthorhombic space group P 2₁2₁2₁ with four molecules C₂₅H₃₅N₃O₄ in the unit cell. The lattice parameters are a = 8.975, b = 13.698, and c = 18.958 Å. The structure was solved by direct methods and refined by least-squares procedures up to the discrepancy factor R = 0.041.