Information card for entry 1572734

Structure parameters

• Formula: C65 H71 B4 N4 S
• Calculated formula: C65 H71 B4 N4 S
• 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: 15.6639 ± 0.0006 Å
• b: 16.1414 ± 0.0007 Å
• c: 23.311 ± 0.001 Å
• α: 90°
• β: 93.896 ± 0.004°
• γ: 90°
• Cell volume: 5880.3 ± 0.4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.103
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No