Information card for entry 7122727

Structure parameters

• Formula: C9 H16 B9 N O
• Calculated formula: C9 H16 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: 6.706 ± 0.0012 Å
• b: 10.283 ± 0.0019 Å
• c: 10.2838 ± 0.0014 Å
• α: 90.954 ± 0.013°
• β: 90.958 ± 0.013°
• γ: 105.754 ± 0.016°
• Cell volume: 682.2 ± 0.2 ų
• Cell temperature: 290.38 ± 0.1 K
• Ambient diffraction temperature: 290.38 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.1676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No