The crystal and molecular structure of methyl 8-tert-butoxy-6-hydroxy-7-nitrooctanoate, C₁₃H₂₅NO₆

Abstract

Structure determination and refinementThe phase problem was solved by SIMPEL (Schenk, Overbeek & van der Putten, 1976). Refinement was by block-diagonal least squares. Towards the end of the anisotropic refinement a difference synthesis revealed the H atoms which were included with isotropic temperature parameters. A weighting scheme w =

The structure of ethyl 5,6,7,8,9-pentaacetoxy-2-butylamino-4-nitromethyl-D-glycero-L-gluco-2-nonene-3-carboxylate

“…'s in these bond lengths and angles are 0.009 A (maximum 0.015A) and 0.6 ° (maximum 0.9 ° ) respectively. Bond lengths and angles are quite close to those found in other compounds (Vloom, Hottentot, Overbeek & Stam, 1979). The only significant differences are in angles which are more responsive to differences in packing and conformation.…”