Information card for entry 7122731

Structure parameters

• Formula: C17 H22 B9 N O
• Calculated formula: C17 H22 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: 8.9207 ± 0.0005 Å
• b: 22.1541 ± 0.0009 Å
• c: 10.6586 ± 0.0007 Å
• α: 90°
• β: 113.804 ± 0.007°
• γ: 90°
• Cell volume: 1927.3 ± 0.2 ų
• Cell temperature: 292.55 ± 0.13 K
• Ambient diffraction temperature: 292.55 ± 0.13 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: 0.1035
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No