Information card for entry 2014042

Structure parameters

• Chemical name: 3,3,10,10-Tetramethyl-1,2-dithia-5,8-diazacyclodeca-4,8-diene
• Formula: C10 H18 N2 S2
• Calculated formula: C10 H18 N2 S2
• SMILES: S1SC(C=NCCN=CC1(C)C)(C)C
• Title of publication: 3,3,10,10-Tetramethyl-1,2-dithia-5,8-diazacyclodeca-4,8-diene
• Authors of publication: Jem-Mau Lo; Golam Mostafa; Ling-Yin Chang; Fen-Ling Liao; Tian-Huey Lu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: o276 - o277
• a: 8.7393 ± 0.0009 Å
• b: 8.9284 ± 0.0009 Å
• c: 15.9117 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1241.6 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes