Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 7 (July 2013)

organic compounds

su2614 scheme

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.

htmldisplay filedownload file

Hyper-Text Markup Language (HTML) file
[ doi:10.1107/S160053681301708X/su2614sup0.html ]
Supplementary materials

cmldisplay filedownload file

Chemical Markup Language (CML) file (15.0 kbytes)
[ doi:10.1107/S160053681301708X/su2614Isup3.cml ]
Supplementary material


To open or display or play some files, you may need to set your browser up to use the appropriate software. See the full list of file types for an explanation of the different file types and their related mime types and, where available links to sites from where the appropriate software may be obtained.

The download button will force most browsers to prompt for a file name to store the data on your hard disk.

Where possible, images are represented by thumbnails.

 bibliographic record in  format

  Find reference:   Volume   Page   
  Search:     From   to      Advanced search

Copyright © International Union of Crystallography
IUCr Webmaster