Information card for entry 4306356

Structure parameters

• Formula: C10 H20 B10 O4 S2
• Calculated formula: C10 H20 B10 O4 S2
• SMILES: [BH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%14%15%16[BH]%171([BH]125[BH]268[BH]9%11%14[BH]%15%1712)[C]4%13%16([C]37%10%12S\C=C\C(=O)OC)S\C=C\C(=O)OC
• Title of publication: Cobalt(III)-Mediated Disulfuration and Hydrosulfuration of Alkynes
• Authors of publication: Bao-Hua Xu; Xu-Qing Peng; Zhi-Wei Xu; Yi-Zhi Li; Hong Yan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 7928 - 7933
• a: 22.857 ± 0.002 Å
• b: 13.6124 ± 0.0013 Å
• c: 13.2963 ± 0.0012 Å
• α: 90°
• β: 106.917 ± 0.001°
• γ: 90°
• Cell volume: 3958 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No