Information card for entry 4130090

Structure parameters

• Formula: C42 H56 Si3
• Calculated formula: C42 H56 Si3
• SMILES: c12C(=C3C(=C4C(=C5C(=C6C(=C(c7ccccc67)C)[Si]5(C(C)C)C(C)C)[Si]4(C(C)C)C(C)C)[Si]3(C(C)C)C(C)C)c2cccc1)C
• Title of publication: Rhodium-Catalyzed Stitching Reaction: Convergent Synthesis of Quinoidal Fused Oligosiloles.
• Authors of publication: Shintani, Ryo; Iino, Ryo; Nozaki, Kyoko
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 11
• Pages of publication: 3635 - 3638
• a: 20.217 ± 0.006 Å
• b: 10.913 ± 0.003 Å
• c: 17.757 ± 0.005 Å
• α: 90°
• β: 102.872 ± 0.004°
• γ: 90°
• Cell volume: 3819.2 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No