Information card for entry 7124874

Structure parameters

• Formula: C12 H21 B10 N O2
• Calculated formula: C12 H21 B10 N O2
• 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: 22.0219 ± 0.0003 Å
• b: 6.88628 ± 0.0001 Å
• c: 24.2999 ± 0.0004 Å
• α: 90°
• β: 104.579 ± 0.0016°
• γ: 90°
• Cell volume: 3566.4 ± 0.1 ų
• Cell temperature: 99.94 ± 0.18 K
• Ambient diffraction temperature: 99.94 ± 0.18 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: 0.045
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1134
• 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