Information card for entry 7123634

Structure parameters

• Formula: C2.615 H2 S0.308
• Calculated formula: C2.61538 H2 S0.307692
• Title of publication: Trisulfur Radical Anion (S3•−) Involved Sulfur Insertion Reaction of 1,3-Enynes: Sulfide Sources Control Chemoselective Synthesis of 2,3,5-trisubstituted Thiophenes and 3-thienyl Disulfides
• Authors of publication: Li, Jing-Hao; Huang, Qi; Rao, Weidong; Wang, Shun-Yi; Ji, Shun-Jun
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 15.8519 ± 0.0008 Å
• b: 13.523 ± 0.0007 Å
• c: 14.0507 ± 0.0007 Å
• α: 90°
• β: 111.737 ± 0.006°
• γ: 90°
• Cell volume: 2797.8 ± 0.3 ų
• Cell temperature: 213 ± 0.1 K
• Ambient diffraction temperature: 213 ± 0.1 K
• Number of distinct elements: 3
• 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: 0.0509
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0669
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No