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Crystal data for 3b.
| Empirical formula | C6H8OS3 |
| Mr | 192.30 |
| Temperature (°K) | 296(2) |
| Crystal system | Monoclinic |
| Space group, Z | P21/c, 4 |
| a,Å | 5.807(9) |
| b,Å | 12.99(2) |
| c,Å | 11.445(15) |
| β,° | 113.23(6) |
| V, Å3 | 793(2) |
| Crystal size, mm | 0.7×0.3x 0.1 |
| ρcalc, g·cm−1 | 1.610 |
| 2θmax | 51.58 |
| µ(Mo-Kα), cm−1 | 8.58 |
| Rint | 0.0240 |
| Reflections collected/unique | 6563 / 1513 |
| GooF | 1.055 |
| R1 / wR2 (I>2σ(I)) | 0.035 / 0.090 |
| R1 / wR2 (all data) | 0.0485 / 0.0977 |
| ρmax/ρmax, e·Å−3 | 0.227 / −0.177 |
