Information card for entry 4135598

Structure parameters

• Formula: C40 H36 O4 Si
• Calculated formula: C40 H36 O4 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: 8.035 ± 0.003 Å
• b: 19.954 ± 0.007 Å
• c: 20.955 ± 0.008 Å
• α: 107.477 ± 0.008°
• β: 90.378 ± 0.006°
• γ: 98.013 ± 0.008°
• Cell volume: 3169 ± 2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2454
• Residual factor for significantly intense reflections: 0.0877
• Weighted residual factors for significantly intense reflections: 0.1836
• Weighted residual factors for all reflections included in the refinement: 0.2418
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No