Structure of a Monocarboxylic Acid Derivative of Vitamin B₁₂: Crystal and Molecular Structure from X-ray Analysis

Abstract

One particular monocarboxylic acid derived from cyanocobalamin can be grown in very large crystals on which both X-ray and neutron diffraction measurements have been made. Calculations lead to the placing of some 205 atoms in the crystal asymmetric unit, including 98 hydrogen atoms, and thus to the detailed definition of the chemical structure of the molecule.