Information card for entry 1548268

Structure parameters

• Formula: C34.5 H39.5 B2 N2 O2.75
• Calculated formula: C34.5 H39.5 B2 N2 O2.75
• 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: 11.3572 ± 0.0009 Å
• b: 9.8183 ± 0.0008 Å
• c: 27.031 ± 0.002 Å
• α: 90°
• β: 96.547 ± 0.004°
• γ: 90°
• Cell volume: 2994.5 ± 0.4 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.1184
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1821
• Weighted residual factors for all reflections included in the refinement: 0.2237
• 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: Yes
• Has Fobs: No