Information card for entry 4105748

Structure parameters

• Formula: C28 H31 N O Si
• Calculated formula: C28 H31 N O Si
• SMILES: [Si](C1=C(c2ccccc2)C[C@@H](N(C1=O)[C@@H](c1ccccc1)C)c1ccccc1)(C)(C)C
• Title of publication: Dehydrogenative [4 + 2] Cycloaddition of Formamides with Alkynes through Double C-H Activation
• Authors of publication: Yoshiaki Nakao; Eiji Morita; Hiroaki Idei; Tamejiro Hiyama
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 3264 - 3267
• a: 9.7598 ± 0.0006 Å
• b: 10.5782 ± 0.0006 Å
• c: 24.5736 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2537 ± 0.3 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 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: 0.0682
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1678
• Weighted residual factors for all reflections included in the refinement: 0.1731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No