Information card for entry 4135600

Structure parameters

• Formula: C30 H26 Si
• Calculated formula: C30 H26 Si
• Title of publication: Palladium-Catalyzed Synthesis of Dibenzosilepin Derivatives via 1,<i>n</i>-Palladium Migration Coupled with <i>anti</i>-Carbopalladation of Alkyne.
• Authors of publication: Tsuda, Tomohiro; Choi, Seung-Min; Shintani, Ryo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2021
• Journal volume: 143
• Journal issue: 3
• Pages of publication: 1641 - 1650
• a: 10.3171 ± 0.0018 Å
• b: 12.986 ± 0.002 Å
• c: 17.529 ± 0.003 Å
• α: 75.678 ± 0.007°
• β: 85.033 ± 0.009°
• γ: 86.4309 ± 0.001°
• Cell volume: 2264.9 ± 0.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1311
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No