Information card for entry 1548266

Structure parameters

• Formula: C22 H26 B2 N2 O2
• Calculated formula: C22 H26 B2 N2 O2
• Title of publication: 1,3,2,5-Diazadiborinine featuring nucleophilic and electrophilic boron centres
• Authors of publication: Di Wu; Lingbing Kong; Yongxin Li; Rakesh Ganguly; Rei Kinjo
• Journal of publication: Nature Communications
• Year of publication: 2015
• Journal volume: 6
• Pages of publication: 7340
• a: 9.3775 ± 0.0015 Å
• b: 22.196 ± 0.004 Å
• c: 9.432 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1963.2 ± 0.6 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1309
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1783
• Weighted residual factors for all reflections included in the refinement: 0.2035
• Goodness-of-fit parameter for all reflections included in the refinement: 0.848
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No