Information card for entry 2237094

Structure parameters

• Chemical name: Bis(1,2,3,4-tetrahydroquinoline-1-thiocarbonyl) disulfide
• Formula: C20 H20 N2 S4
• Calculated formula: C20 H20 N2 S4
• SMILES: C1CCc2ccccc2N1C(=S)SSC(=S)N1CCCc2ccccc12
• Title of publication: Bis(1,2,3,4-tetrahydroquinoline-1-thiocarbonyl) disulfide
• Authors of publication: Srinivasan, N.; Thirumaran, S.; Selvanayagam, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3446
• a: 8.1019 ± 0.0004 Å
• b: 20.3208 ± 0.0011 Å
• c: 12.3647 ± 0.0006 Å
• α: 90°
• β: 104.371 ± 0.002°
• γ: 90°
• Cell volume: 1971.99 ± 0.17 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes