Information card for entry 4131562

Structure parameters

• Formula: C18 H30 Si3
• Calculated formula: C18 H30 Si3
• SMILES: [Si]1(Cc2c(c3c(c4c2C[Si](C4)(C)C)C[Si](C3)(C)C)C1)(C)C
• Title of publication: Ruthenium-Catalyzed Site-Selective Intramolecular Silylation of Primary C-H Bonds for Synthesis of Sila-Heterocycles.
• Authors of publication: Fang, Huaquan; Hou, Wenjun; Liu, Guixia; Huang, Zheng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 33
• Pages of publication: 11601 - 11609
• a: 14.783 ± 0.003 Å
• b: 11.788 ± 0.002 Å
• c: 11.937 ± 0.002 Å
• α: 90°
• β: 103.039 ± 0.004°
• γ: 90°
• Cell volume: 2026.5 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No