caa a22 4500 465795943 CHVBK 20180323112037.0 cr unu---uuuuu 170327e19900701xx s 000 0 eng 10.1007/BF02638952 doi (NATIONALLICENCE)springer-10.1007/BF02638952 Crystal structures and melting points of saturated triacylglycerols in the β-3 phase [Elektronische Daten] [T. van Soest, S. de Jong, E. Roijers] A comprehensive packing analysis is presented of the crystal structures of a large number of saturated triacylglycerols in the β-3 phase. The triacylglycerolsp.q.r have been grouped into four classes:r=p,p+2,p+4 andp+6. The length of the middle chain,q, dictates whether a β-2 or β-3 packing occurs. The latter packing arrangement is adopted whenq differs at least 4 fromp orr. The model-building approach starts from the known molecular conformation of β-210.10.10 and the T‖ subcell packing mode of the hydrocarbon chains. Purely geometrical model-building allows a preliminary assignment of crystal structures. Crystal lattice energy calculations using the atom-atom potential method support these tentative assignments and clarify some details regarding the stacking of layers. In common with the β-2 phase crystal structures, the structure of the terrace-like arrangement of the terminal methyl groups plays a crucial role. Triacylglycerols with chains 1 and 3 differing 2 or 4 carbon atoms have a common arrangement of the end-methyl groups (type β-3A). Those with a difference of 0 (i.e. symmetrical) or 6 carbon atoms have a different, less favorable methyl terrace (type β-3B). The available experimental evidence (x-ray powder diffraction, unit-cell data and melting points) is entirely compatible with these proposals. American Oil Chemists' Society, 1990 van Soest T. Unilever Research Laboratorium Vlaardingen, P.O. Box 114, Vlaardingen, The Netherlands aut de Jong S. Unilever Research Laboratorium Vlaardingen, P.O. Box 114, Vlaardingen, The Netherlands aut Roijers E. Unilever Research Laboratorium Vlaardingen, P.O. Box 114, Vlaardingen, The Netherlands aut Journal of the American Oil Chemists' Society Springer-Verlag 67/7(1990-07-01), 415-423 0003-021X 67:7<415 1990 67 11746 https://doi.org/10.1007/BF02638952 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF02638952 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- van Soest T. Unilever Research Laboratorium Vlaardingen, P.O. Box 114, Vlaardingen, The Netherlands aut NATIONALLICENCE 700 1- de Jong S. Unilever Research Laboratorium Vlaardingen, P.O. Box 114, Vlaardingen, The Netherlands aut NATIONALLICENCE 700 1- Roijers E. Unilever Research Laboratorium Vlaardingen, P.O. Box 114, Vlaardingen, The Netherlands aut NATIONALLICENCE 773 0- Journal of the American Oil Chemists' Society Springer-Verlag 67/7(1990-07-01), 415-423 0003-021X 67:7<415 1990 67 11746 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer