Information card for entry 4069444

Structure parameters

• Formula: C21 H35 N3 Si
• Calculated formula: C21 H35 N3 Si
• SMILES: [Si](C)(C)(C)c1cn(c2ccccc2)c(NC(C)(C)C)c1NC(C)(C)C
• Title of publication: One-Step Route to 2,3-Diaminopyrroles Using a Titanium-Catalyzed Four-Component Coupling
• Authors of publication: Barnea, Eyal; Majumder, Supriyo; Staples, Richard J.; Odom, Aaron L.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 13
• Pages of publication: 3876
• a: 7.089 ± 0.0015 Å
• b: 19.405 ± 0.004 Å
• c: 16.243 ± 0.003 Å
• α: 90°
• β: 98.418 ± 0.003°
• γ: 90°
• Cell volume: 2210.3 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.137
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.1958
• Weighted residual factors for all reflections included in the refinement: 0.2159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No