Information card for entry 4306357

Structure parameters

• Formula: C14 H22 B10 O8 S2
• Calculated formula: C14 H22 B10 O8 S2
• SMILES: [BH]1234[BH]567[BH]89%10[BH]%11%126[BH]615[BH]153[BH]3%13%14[BH]%159([C]9278SC(=C(C(=C(C(=O)OC)S[C]45%14%159)C(=O)OC)C(=O)OC)C(=O)OC)[BH]%10%113[BH]%1261%13
• 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: 12.356 ± 0.007 Å
• b: 12.873 ± 0.007 Å
• c: 14.575 ± 0.01 Å
• α: 90°
• β: 93.926 ± 0.012°
• γ: 90°
• Cell volume: 2313 ± 2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0633
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No