Structural analogy between beta ' triacylglycerols and n-alkanes. Toward the crystal structure of beta '-2 p.p+2.p triacylglycerols
van de Streek J, Verwer P, de Gelder R, Hollander F
JOURNAL OF THE AMERICAN OIL CHEMISTS SOCIETY 76 (11): 1333-1341 NOV 1999

Abstract:
The structural elements of the beta'-2 polymorph of 1,3-dilauroyl-2-myristoylglycerol as found by Birker et al. (J. Am. Oil Chem. Soc. 68:895-906,1991) were also observed in the crystal structures of other long-chain compounds. This analogy led to the assembly of a beta'-2 structure at the atomic level from known crystallographic data. The structure was optimized by molecular mechanics and was consistent with experimental data, including satisfactory reproduction of the X-ray powder pattern. To the best of our knowledge, this is the first beta' structure with a 1,2 configuration and an intramolecular orthorhombic subcell which is fully optimized by molecular mechanics to date. It shows all structural elements found earlier by Birker et al.