Information card for entry 4122592

Structure parameters

• Chemical name: spiro[2,2,5,5-tetra-tert-butyl-3,3,4,4-tetramethyl-bicyclo[4.1.0]heptasil-1(6)- ene-7,1'-2,2,5,5-tetra-tert-butyl-3,3,4,4-tetramethylcyclopentasilane]
• Formula: C40 H96 Si11
• Calculated formula: C40 H96 Si11
• SMILES: [Si]1([Si]2([Si]([Si]([Si]1(C)C)(C)C)(C(C)(C)C)C(C)(C)C)[Si]1=[Si]2[Si]([Si]([Si]([Si]1(C(C)(C)C)C(C)(C)C)(C)C)(C)C)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Tetrasilane-bridged bicyclo[4.1.0]heptasil-1(6)-ene.
• Authors of publication: Tsurusaki, Akihiro; Kamiyama, Jun; Kyushin, Soichiro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 37
• Pages of publication: 12896 - 12898
• a: 12.0612 ± 0.0016 Å
• b: 14.318 ± 0.002 Å
• c: 18.484 ± 0.002 Å
• α: 101.875 ± 0.003°
• β: 97.825 ± 0.002°
• γ: 111.173 ± 0.003°
• Cell volume: 2834.3 ± 0.6 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No