Information card for entry 1571396

Structure parameters

• Formula: C56 H92 O Si
• Calculated formula: C56 H92 O Si
• Title of publication: Approach to the “Missing” Diarylsilylene: Formation, Characterization, and Intramolecular C–H Bond Activation of Blue Diarylsilylenes with Bulky Rind Groups
• Authors of publication: Mochihara, Kazuki; Morimoto, Tatsuto; Ota, Kei; Marumoto, Shinsuke; Hashizume, Daisuke; Matsuo, Tsukasa
• Journal of publication: International Journal of Molecular Sciences
• Year of publication: 2024
• Journal volume: 25
• Journal issue: 7
• Pages of publication: 3761
• a: 12.9236 ± 0.0003 Å
• b: 18.9633 ± 0.0004 Å
• c: 20.6577 ± 0.0005 Å
• α: 90°
• β: 102.518 ± 0.002°
• γ: 90°
• Cell volume: 4942.3 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0657
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No