The B-phase of tricaprin (C3306H62) is triclinic, space group P i, with the following unit-cell dimensions: a--5.488_+0.01 A ct= 85.35 _+ 0.15 ° b = 12" 176 _+ 0.03 # = 87.27 +_ 0.15 c =26"93 _+0.07 y=79-28 + 0.15Three-dimensional data collected at ambient temperature, which is only a few degrees below the melting point of 31"9°C, have been used to refine the structure to a final R= 5.1%. The molecules are packed as a modified 'tuning fork' in which two chains with two glyceryl carbon atoms and two ester oxygen atoms form a nearly straight chain, while the third chain branches off by way of the third glyceryl carbon atom and an ester oxygen atom, bends and packs into the structure essentially parallel to the other chains. The chains are packed in the TII subcell and appear to be slightly bent. The thermal motions of most atoms are quite anisotropic and the motions of those toward the terminal ends of the chains are considerably greater than that of those near the glyceryl moiety. All 62 hydrogen atoms were located by means of a AF synthesis. Standard deviations of the 33 C atoms range from 0.0036 to 0.0063/~, for the 60 atoms from 0.0023 to 0.0039/~, and for the 62 H atoms from 0.029 to 0.057/~.
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