Information card for entry 7243874

Structure parameters

• Formula: C10 H13 N O4 S3
• Calculated formula: C10 H13 N O4 S3
• SMILES: c1(ccc(cc1)S(=O)(=O)SSC(C)(C)C)N(=O)=O
• Title of publication: From symmetrical tetrasulfides to trisulfide dioxides via photocatalysis
• Authors of publication: Gong, Kai; Zhou, Yilin; Jiang, Xuefeng
• Journal of publication: Green Chemistry
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 24
• Pages of publication: 9865 - 9869
• a: 12.8766 ± 0.0003 Å
• b: 6.3085 ± 0.0001 Å
• c: 16.9497 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1376.86 ± 0.05 ų
• Cell temperature: 169.99 ± 0.1 K
• Ambient diffraction temperature: 169.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No