Information card for entry 4109874

Structure parameters

• Formula: C22 H58 Si9
• Calculated formula: C22 H58 Si9
• SMILES: [Si]1(=[Si]([Si]21C([Si](C)(C)C)([Si](C)(C)C)CCC2([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C
• Title of publication: Thermal and Photochemical Cleavage of SiSi Double Bond in Tetrasila-1,3-diene
• Authors of publication: Kei Uchiyama; Selvarajan Nagendran; Shintaro Ishida; Takeaki Iwamoto; Mitsuo Kira
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 10638 - 10639
• a: 17.045 ± 0.003 Å
• b: 16.461 ± 0.003 Å
• c: 12.918 ± 0.002 Å
• α: 90°
• β: 91.207 ± 0.002°
• γ: 90°
• Cell volume: 3623.7 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0253
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No