Information card for entry 7131805

Structure parameters

• Formula: C38 H43 N Si
• Calculated formula: C38 H43 N Si
• Title of publication: Palladium-catalyzed synthesis of benzosilacyclobutenes via position-selective C(sp3)–H arylation
• Authors of publication: Hamada, Naoya; Hayashi, Daigo; Shintani, Ryo
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 22.9951 ± 0.0008 Å
• b: 8.0662 ± 0.0003 Å
• c: 35.0695 ± 0.0012 Å
• α: 90°
• β: 106.116 ± 0.004°
• γ: 90°
• Cell volume: 6249.2 ± 0.4 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1274
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.1526
• Weighted residual factors for all reflections included in the refinement: 0.1699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No