X-ray data for 4, 8-dithiatricyclo[7.2.1.0^(3,10)]dodecane

The crystal structure of 4, 8-dithiatricyclo[7.2.1.03,10]dodecane was obtained. The structure was solved by direct methods. A total of 9 atoms were located from the E-map. The remaining atoms were located in succeeding difference Fourier syntheses. Hydrogen atoms were included in the refinement but restrained to ride on the atom to which they are bonded.

Methods
A colorless irregular block crystal of C10S14S2 having approximate dimensions of 0.20 x 0.22 x 0.25 mm was mounted in a glass capillary in random orientation.Preliminary examination and data collection were performed with Mo Kα radiation (λ = 0.71073 Å) on a Syntex P21 diffractometer, with Crystal Logic control hardward and software. The data were collected at a temperature of 23 ± 1° using the θ-20 scan technique. The scan rate was fixed at 3°/min. Data were collected to a maximum 20 of 50.0°. The scan range (in deg.) was determined as a function of 2θ to correct for the separation of the Kα doublet. The scan width was from 1.3° below 2θKα1 to 1.6° above 2θKα1. The diameter of the incident beam collimator was 0.75 mm.