Information card for entry 4070832

Structure parameters

• Common name: compound 3
• Formula: C36 H73 Li O2 Si7
• Calculated formula: C36 H73 Li O2 Si7
• SMILES: [Si]12([CH]3=[CH]4C5[CH]6=[CH]1[Li]13456[O](C)CC[O]1C)c1c(cc(cc1C2([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Reduction of a Kinetically Stabilized Silabenzene Leading to the Formation of the Corresponding Anion Radical Species†
• Authors of publication: Matsumoto, Takeshi; Sasamori, Takahiro; Sato, Kazunobu; Takui, Takeji; Tokitoh, Norihiro
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 3
• Pages of publication: 305
• a: 13.5762 ± 0.0001 Å
• b: 17.8032 ± 0.0002 Å
• c: 21.6131 ± 0.0002 Å
• α: 101.868 ± 0.0005°
• β: 98.5113 ± 0.0005°
• γ: 108.785 ± 0.0008°
• Cell volume: 4708.73 ± 0.08 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No