title: Pallidol hexa-acetate ethyl acetate monosolvate.
abstract: The entire mol-ecule of pallidol hexa-acetate {systematic name: (±)-(4bR,5R,9bR,10R)-5,10-bis-[4-(acet-yloxy)phen-yl]-4b,5,9b,10-tetra-hydro-indeno-[2,1-a]indene-1,3,6,8-tetrayl tetra-acetate} is completed by the application of twofold rotational symmetry in the title ethyl acetate solvate, C40H34O12·C4H8O2. The ethyl acetate mol-ecule 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 hexa-acetate, 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 mol-ecule. 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(carb-oxy)-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 inter-actions which encompass channels in which the disordered ethyl acetate mol-ecules reside.
authors.affiliation: School of Agriculture, Food and Wine, The University of Adelaide, Waite Campus, PMB 1, Glen Osmond, SA 5064, Australia.
authors.forename: Qinyong
authors.initials: Q
authors.lastname: Mao
authors.forename: Dennis K
authors.initials: DK
authors.lastname: Taylor
authors.forename: Seik Weng
authors.initials: SW
authors.lastname: Ng
authors.forename: Edward R T
authors.initials: ER
authors.lastname: Tiekink
references.citation: Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22
references.pmid: 18156677
references.citation: Acta Crystallogr D Biol Crystallogr. 2009 Feb;65(Pt 2):148-55
references.pmid: 19171970
references.citation: Rapid Commun Mass Spectrom. 2013 Aug 30;27(16):1815-27
references.pmid: 23857927