Information card for entry 7213119

Structure parameters

• Chemical name: 1,1,2,2,6,6,9,9-Octamethyl-1,2,6,9-tetrasila- cyclododeca-4,10-diyne (14)
• Formula: C16 H32 Si4
• Calculated formula: C16 H32 Si4
• SMILES: [Si]1([Si](CC#C[Si](CC[Si](C#CC1)(C)C)(C)C)(C)C)(C)C
• Title of publication: Cyclic diynes with tetramethyldisilyl groups in the bridges. Syntheses and properties
• Authors of publication: Haberhauer, Gebhard; Gleiter, Rolf; Irngartinger, Hermann; Oeser, Thomas; Rominger, Frank
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 1999
• Journal issue: 10
• Pages of publication: 2093
• a: 8.331 ± 0.001 Å
• b: 21.336 ± 0.005 Å
• c: 12.51 ± 0.002 Å
• α: 90°
• β: 100.58 ± 0.01°
• γ: 90°
• Cell volume: 2185.9 ± 0.7 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.044
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No