Information card for entry 4083498

Structure parameters

• Chemical name: 1,1,3,3-tetra-tert-butyl-1,3-dimethyl- 2-[(1,4,7,10,13-pentaoxacyclopentadecane)sodio]trisilan-2-yl
• Formula: C28 H62 Na O5 Si3
• Calculated formula: C28 H62 Na O5 Si3
• SMILES: [Si]([Si](C)(C(C)(C)C)C(C)(C)C)([Si](C)(C(C)(C)C)C(C)(C)C)[Na]1234[O]5CC[O]1CC[O]2CC[O]3CC[O]4CC5
• Title of publication: Isolable Alkali-Metal-Substituted Silyl Radicals (tBu2MeSi)2SiM (M = Li, Na, K): Electronically and Sterically Accessible Planar Silyl Radicals
• Authors of publication: Inoue, Shigeyoshi; Ichinohe, Masaaki; Sekiguchi, Akira
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 7
• Pages of publication: 1358
• a: 11.268 ± 0.0007 Å
• b: 11.625 ± 0.0006 Å
• c: 15.315 ± 0.0008 Å
• α: 71.941 ± 0.003°
• β: 78.913 ± 0.003°
• γ: 72.57 ± 0.003°
• Cell volume: 1808.75 ± 0.18 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0467
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No