Information card for entry 4070794

Structure parameters

• Formula: C23 H26 N2 O4 Si
• Calculated formula: C23 H26 N2 O4 Si
• SMILES: c1(cccc2cccc(c12)[Si](C)(C)CCOC(=O)c1ccc(cc1)N(=O)=O)N(C)C
• 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: 7.5985 ± 0.0011 Å
• b: 41.416 ± 0.006 Å
• c: 7.2772 ± 0.0011 Å
• α: 90°
• β: 106.158 ± 0.002°
• γ: 90°
• Cell volume: 2199.7 ± 0.6 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 403 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.323
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No