Information card for entry 4135599

Structure parameters

• Formula: C27 H26 Si
• Calculated formula: C27 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: 10.5521 ± 0.0008 Å
• b: 24.7884 ± 0.0016 Å
• c: 16.8422 ± 0.0013 Å
• α: 90°
• β: 107.729 ± 0.0015°
• γ: 90°
• Cell volume: 4196.2 ± 0.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No