4,6,7,9,10,12,13,15,16,18-Decahydro-1,3-dithiolo[4,5-l][1,4,7,10,15]trioxadithiacycloheptadecine-2-thione

The title compound, C13H20O3S5, is bisected by a crystallographic twofold rotation axis, which relates the two halves of the molecule to one another: one S, one C and one O atom lie on the axis. The thione S atom lies in the plane of the five-membered rings with an r.m.s. deviation of 0.0042 (5) Å. Parts of the 17-membered macrocycle were refined using a two-part disorder model [occupancies of 0.553 (14) and 0.447 (14)]. There are no noteworthy intermolecular interactions.

The title compound, C 13 H 20 O 3 S 5 , is bisected by a crystallographic twofold rotation axis, which relates the two halves of the molecule to one another: one S, one C and one O atom lie on the axis. The thione S atom lies in the plane of the fivemembered rings with an r.m.s. deviation of 0.0042 (5) Å . Parts of the 17-membered macrocycle were refined using a two-part disorder model [occupancies of 0.553 (14) and 0.447 (14)]. There are no noteworthy intermolecular interactions.
The molecule structure of title compound, C 13 H 20 O 3 S 5 , is shown in Fig. 1. All bond lengths and angles are unexceptional and comparable with the related structure (Hou et al., 2009). The C6, C7 and C6', C7' atoms were refined using a two-part disorder model with a major:minor occupancy ratio of 55:45.

Experimental
The title compound was prepared according to the literature (Chen et al., 2005). Single crystals suitable for X-ray diffraction were prepared by slow evaperation a mixture of dichloromethane and petroleum (60-90 °C) at room temperature.

Special details
Experimental. (See detailed section in the paper) Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.
Refinement. Refinement of F 2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F 2 , conventional R-factors R are based on F, with F set to zero for negative F 2 . The threshold expression of F 2 > σ(F 2 ) is used only for calculating Rfactors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F 2 are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.