Information card for entry 4070796

Structure parameters

• Formula: C23 H26 N2 O4 Si
• Calculated formula: C23 H26 N2 O4 Si
• SMILES: [Si](c1cccc2cccc(N(C)C)c12)(C)(C)CCOC(=O)c1c(N(=O)=O)cccc1
• Title of publication: Structural Investigations into the β-Effect of Pentavalent Silicon
• Authors of publication: Spiniello, Marisa; White, Jonathan M.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 5
• Pages of publication: 994
• a: 7.584 ± 0.001 Å
• b: 13.923 ± 0.002 Å
• c: 20.265 ± 0.003 Å
• α: 90°
• β: 91.37 ± 0.02°
• γ: 90°
• Cell volume: 2139.2 ± 0.5 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• 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: 0.0532
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No