Information card for entry 7064391

Structure parameters

• Formula: C18 H24 N2 O4 S2
• Calculated formula: C18 H24 N2 O4 S2
• Title of publication: H2O-Controlled Selective Disulfide Etherification and Thiocyanation of Pyrroles via Linear Paired Electrolysis
• Authors of publication: Liu, Shuai; Liu, Yu-Tao; Liu, Jiahui; Chen, Zihao; Ding, Yue; Wu, Qiong; Zhang, Tian-Shu; Ding, Weijie
• Journal of publication: New Journal of Chemistry
• Year of publication: 2026
• a: 8.5875 ± 0.001 Å
• b: 10.6673 ± 0.001 Å
• c: 11.4787 ± 0.0014 Å
• α: 78.905 ± 0.004°
• β: 85.544 ± 0.004°
• γ: 85.215 ± 0.004°
• Cell volume: 1026.2 ± 0.2 ų
• Cell temperature: 302 K
• Ambient diffraction temperature: 302 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No