Information card for entry 4125585

Structure parameters

• Formula: C53 H76 Si4
• Calculated formula: C53 H76 Si4
• Title of publication: Synthesis of Quinoidal Fused Oligosiloles by Rhodium-Catalyzed Stitching Reaction and Theoretical Investigation of Their Properties.
• Authors of publication: Shintani, Ryo; Misawa, Nana; Tsuda, Tomohiro; Iino, Ryo; Fujii, Mikiya; Yamashita, Koichi; Nozaki, Kyoko
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 11.8978 ± 0.0007 Å
• b: 19.8913 ± 0.0011 Å
• c: 41.593 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9843.5 ± 1.1 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0796
• Weighted residual factors for significantly intense reflections: 0.1832
• Weighted residual factors for all reflections included in the refinement: 0.1852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.212
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No