Information card for entry 4109147

Structure parameters

• Chemical name: Si3C-bicyclo[1.1.0]butane
• Formula: C37 H86 Si7
• Calculated formula: C37 H86 Si7
• SMILES: [Si]12([Si]([Si]1([Si](C)(C(C)(C)C)C(C)(C)C)[Si](C)(C(C)(C)C)C(C)(C)C)([Si](C)(C(C)(C)C)C(C)(C)C)C2)[Si](C)(C(C)(C)C)C(C)(C)C
• Title of publication: Interplay of EnE'3-nC Valence Isomers (E, E' = Si, Ge): Bicyclo[1.1.0]butanes with Very Short Bridging Bonds and Their Isomerization to Alkyl-Substituted Cyclopropenes
• Authors of publication: Vladimir Ya. Lee; Hiroyuki Yasuda; Akira Sekiguchi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 2436 - 2437
• a: 11.737 ± 0.0002 Å
• b: 17.826 ± 0.0006 Å
• c: 22.719 ± 0.0006 Å
• α: 90°
• β: 91.642 ± 0.002°
• γ: 90°
• Cell volume: 4751.4 ± 0.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 3
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No