Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 7 (July 2013)

organic compounds

Acta Cryst. (2013). E69, o1155-o1156    [ doi:10.1107/S160053681301708X ]

Pallidol hexa­acetate ethyl acetate monosolvate

Q. Mao, D. K. Taylor, S. W. Ng and E. R. T. Tiekink

Abstract: The entire mol­ecule of pallidol hexa­acetate {systematic name: (±)-(4bR,5R,9bR,10R)-5,10-bis­[4-(acet­yloxy)phen­yl]-4b,5,9b,10-tetra­hydro­indeno­[2,1-a]indene-1,3,6,8-tetrayl tetra­acetate} is completed by the application of twofold rotational symmetry in the title ethyl acetate solvate, C40H34O12·C4H8O2. The ethyl acetate mol­ecule was highly disordered and was treated with the SQUEEZE routine [Spek (2009). Acta Cryst. D65, 148-155]; the crystallographic data take into account the presence of the solvent. In pallidol hexa­acetate, the dihedral angle between the fused five-membered rings (r.m.s. deviation = 0.100 Å) is 54.73 (6)°, indicating a significant fold in the mol­ecule. Significant twists between residues are also evident as seen in the dihedral angle of 80.70 (5)° between the five-membered ring and the pendent benzene ring to which it is attached. Similarly, the acetate residues are twisted with respect to the benzene ring to which they are attached [C-O(carb­oxy)-C-C torsion angles = -70.24 (14), -114.43 (10) and -72.54 (13)°]. In the crystal, a three-dimensional architecture is sustained by C-H...O inter­actions which encompass channels in which the disordered ethyl acetate mol­ecules reside.

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