Information card for entry 1545448

Structure parameters

• Formula: C8 H15 B10 Br N2
• Calculated formula: C8 H15 B10 Br N2
• SMILES: Brc1cc(ccc1)/N=N/[C]1234[CH]567[BH]89%10[BH]%11%125[BH]526[BH]261[BH]1%13%14[BH]8%11([BH]%12521)[BH]1%10%13[BH]379[BH]46%141
• 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: 7.547 ± 0.003 Å
• b: 20.473 ± 0.009 Å
• c: 9.936 ± 0.004 Å
• α: 90°
• β: 97.113 ± 0.007°
• γ: 90°
• Cell volume: 1523.4 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0751
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No