Information card for entry 4131561

Structure parameters

• Formula: C12 H18 O2 Si2
• Calculated formula: C12 H18 O2 Si2
• SMILES: c12OC[Si](c2cc2c(c1)[Si](CO2)(C)C)(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: 6.6045 ± 0.0006 Å
• b: 10.5502 ± 0.001 Å
• c: 9.9087 ± 0.0009 Å
• α: 90°
• β: 99.277 ± 0.002°
• γ: 90°
• Cell volume: 681.4 ± 0.11 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No