Information card for entry 2236139

Structure parameters

• Chemical name: (±)-(<i>rel</i>-3<i>R</i>,3'<i>R</i>)-1,1'-Dimethyl-3,3'-bipyrrolidine-2,2'- dithione
• Formula: C10 H16 N2 S2
• Calculated formula: C10 H16 N2 S2
• SMILES: CN1CC[C@@H](C1=S)[C@H]1CCN(C1=S)C.CN1CC[C@H](C1=S)[C@@H]1CCN(C1=S)C
• Title of publication: (±)-(<i>rel</i>-3<i>R</i>,3'<i>R</i>)-1,1'-Dimethyl-3,3'-bipyrrolidine-2,2'-dithione
• Authors of publication: Madeley, Lee G.; Lemmerer, Andreas; Michael, Joseph P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: o3211
• a: 20.52 ± 0.003 Å
• b: 5.7237 ± 0.0007 Å
• c: 11.22 ± 0.002 Å
• α: 90°
• β: 122.009 ± 0.005°
• γ: 90°
• Cell volume: 1117.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes