Information card for entry 4025851

Structure parameters

• Formula: C26 H31 N O2 Si
• Calculated formula: C26 H31 N O2 Si
• Title of publication: Synthesis of 4-Aryl- and 4-Alkyl-2-silyl-1,3-butadienes and Their Diels-Alder/Cross-Coupling Reactions
• Authors of publication: Christopher S. Junker; Mark E. Welker; Cynthia S. Day
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 8155 - 8165
• a: 8.1254 ± 0.0011 Å
• b: 13.4757 ± 0.0018 Å
• c: 21.652 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2370.8 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No