Information card for entry 4113677

Structure parameters

• Chemical name: 4,4-Di-tert-butyl-2,3-diethyl-5,5-dimethyl-1-tri-tert-butylsilyl- 1,4-disilacyclohex-2-ene
• Formula: C30 H64 Si3
• Calculated formula: C30 H64 Si3
• SMILES: [SiH]1([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C(CC)=C([Si](C(C1)(C)C)(C(C)(C)C)C(C)(C)C)CC
• Title of publication: Bis(tri-tert-butylsilyl)silylene: Triplet Ground State Silylene
• Authors of publication: Akira Sekiguchi; Takashi Tanaka; Masaaki Ichinohe; Kimio Akiyama; Shozo Tero-Kubota
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 4962 - 4963
• a: 8.661 ± 0.0002 Å
• b: 25.824 ± 0.0005 Å
• c: 14.482 ± 0.0002 Å
• α: 90°
• β: 91.771 ± 0.001°
• γ: 90°
• Cell volume: 3237.52 ± 0.11 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 3
• 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: 0.0363
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No