Information card for entry 1545446

Structure parameters

• Formula: C9 H18 B10 N2 O
• Calculated formula: C9 H18 B10 N2 O
• SMILES: O(c1ccc(/N=N/[C]2345[CH]678[BH]9%102[BH]2%11%12[BH]%1339[BH]394[BH]456[BH]569[BH]2%133[BH]2%126[BH]7%10%11[BH]8452)cc1)C
• Title of publication: Base-Promoted Decarboxylative Azo-Coupling: Construction of Unsymmetrical Azocarboranes.
• Authors of publication: Li, Huan-Huan; Bai, Fan; Yan, Hong; Lu, Chang-Sheng
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 4
• Pages of publication: 862 - 865
• a: 7.028 ± 0.0008 Å
• b: 19.93 ± 0.002 Å
• c: 33.434 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4683 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1876
• Residual factor for significantly intense reflections: 0.0851
• Weighted residual factors for significantly intense reflections: 0.2048
• Weighted residual factors for all reflections included in the refinement: 0.2616
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No