Information card for entry 7122730

Structure parameters

• Formula: C11 H20 B9 N O
• Calculated formula: C11 H20 B9 N O
• Title of publication: A facile approach for synthesis of nido-carborane fused oxazoles via one pot deboronation/cyclization of 9-amide-o-carboranes
• Authors of publication: Zhang, Cai-Yan; Cao, Ke; Xu, Tao-Tao; Wu, Ji; Jiang, Lin-Hai; Yang, Junxiao
• Journal of publication: Chemical Communications
• Year of publication: 2018
• a: 19.049 ± 0.0013 Å
• b: 10.6495 ± 0.0007 Å
• c: 16.038 ± 0.0009 Å
• α: 90°
• β: 92.738 ± 0.006°
• γ: 90°
• Cell volume: 3249.8 ± 0.4 ų
• Cell temperature: 295.62 ± 0.1 K
• Ambient diffraction temperature: 295.62 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0978
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1549
• Weighted residual factors for all reflections included in the refinement: 0.1767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No