Information card for entry 1545449

Structure parameters

• Formula: C10 H16 B10 N2
• Calculated formula: C10 H16 B10 N2
• SMILES: [BH]1234[C]567([BH]89%10[CH]%1115[BH]158[BH]8%12%13[BH]2%111[BH]13%12[BH]23%13[BH]69([BH]%10582)[BH]4713)/N=N/c1cc(ccc1)C#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: 7.5719 ± 0.0014 Å
• b: 20.281 ± 0.004 Å
• c: 10.3153 ± 0.0018 Å
• α: 90°
• β: 95.029 ± 0.003°
• γ: 90°
• Cell volume: 1578 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0836
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1572
• Weighted residual factors for all reflections included in the refinement: 0.1882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No