Structure of CnCn+2Cn-type (n = even) beta'-triacylglycerols.
The crystal structures of the beta' phase of CLC (1, 3-didecanoyl-2-dodecanoylglycerol) and MPM (1, 3-ditetradecanoyl-2-hexadecanoylglycerol) have been determined from single-crystal X-ray diffraction and high-resolution X-ray powder diffraction data, respectively. Both these crystals are orthorhombic with space group Iba2 and Z = 8. The unit-cell parameters of beta'-CLC are a = 57.368 (6), b = 22.783 (2) and c = 5.6945 (6) A and the final R value is 0.175. The unit-cell parameters of beta'-MPM are a = 76.21 (4), b = 22.63 (1) and c = 5.673 (2) A and the final R(p) value is 0.057. Both the beta'-CLC and beta'-MPM molecules are crystallized in a chair conformation, having a bend at the glycerol moiety. The zigzag planes of the acyl chains are orthogonally packed, as is typical for a beta' phase. Furthermore, unit-cell parameters of some other members of the C(n)C(n+2)C(n)-type triacylglycerol series have been refined on their high-resolution X-ray powder diffraction pattern. Finally, the crystal structures are compared with the currently known structures and models of triacylglycerols.
Van Langevelde
A
A
Laboratory for Crystallography, Institute for Molecular Chemistry (IMC), Universiteit van Amsterdam, Nieuwe Achtergracht 166, 1018 WV Amsterdam, The Netherlands. arjen@crys.chem.uva.nl
Van Malssen
K
K
Driessen
R
R
Goubitz
K
K
Hollander
F
F
Peschar
R
R
Zwart
P
P
Schenk
H
H
D018360:Crystallography, X-Ray; D008958:Models, Molecular; D008968:Molecular Conformation; D013329:Structure-Activity Relationship; D014280:Triglycerides / Q000737:chemistry*; D014961:X-Ray Diffraction
D014280:Triglycerides