Information card for entry 7124872

Structure parameters

• Formula: C11 H20 B10 O2 S
• Calculated formula: C11 H20 B10 O2 S
• Title of publication: Phosphine-catalyzed cage carbon functionalization of o-carborane: facile synthesis of alkenylcarboranes.
• Authors of publication: Zheng, Fangrui; Leung, Tsz-Fai; Chan, Ka-Wing; Sung, Herman H. Y.; Williams, Ian D.; Xie, Zuowei; Jia, Guochen
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 71
• Pages of publication: 10767 - 10770
• a: 14.009 ± 0.002 Å
• b: 7.0087 ± 0.0011 Å
• c: 17.9756 ± 0.0019 Å
• α: 90°
• β: 100.292 ± 0.012°
• γ: 90°
• Cell volume: 1736.5 ± 0.4 ų
• Cell temperature: 99.94 ± 0.14 K
• Ambient diffraction temperature: 99.94 ± 0.14 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1209
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No