Information card for entry 1572732

Structure parameters

• Formula: C31 H32 B2 N2
• Calculated formula: C31 H32 B2 N2
• Title of publication: Fully Conjugated Tetraborylethylene: Selenium Mediated C–C Double Bond Formation from Diborylcarbenoid
• Authors of publication: Shibutani, Yuki; Kusumoto, Shuhei; Nozaki, Kyoko
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 15.9465 ± 0.0004 Å
• b: 14.8115 ± 0.0004 Å
• c: 22.4995 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5314.2 ± 0.3 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 4
• 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: 0.0534
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No