Information card for entry 4113675

Structure parameters

• Chemical name: 2,3-Diethyl-1,1-bis(tri-tert-butylsilyl)-1-silacycloprop-2-ene
• Formula: C30 H64 Si3
• Calculated formula: C30 H64 Si3
• SMILES: [Si]1([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C(=C1CC)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: 8.782 ± 0.0002 Å
• b: 17.343 ± 0.0008 Å
• c: 21.47 ± 0.001 Å
• α: 90°
• β: 90.131 ± 0.003°
• γ: 90°
• Cell volume: 3270 ± 0.2 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: 0.061
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No