Information card for entry 2220397

Structure parameters

• Chemical name: 2,4,8,10-Tetraoxa-3,9-dithiaspiro[5.5]undecane 3,9-dioxide
• Formula: C5 H8 O6 S2
• Calculated formula: C5 H8 O6 S2
• SMILES: C12(COS(OC1)=O)COS(OC2)=O
• Title of publication: 2,4,8,10-Tetraoxa-3,9-dithiaspiro[5.5]undecane 3,9-dioxide
• Authors of publication: Rao, Zai-Ying; Xiao, Xin; Zhang, Yun-Qiang; Xue, Sai-Feng; Tao, Zhu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o36
• a: 6.0489 ± 0.0005 Å
• b: 12.8431 ± 0.0011 Å
• c: 21.583 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1676.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P b n 21
• Hall space group symbol: P 2c -2ab
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes