Information card for entry 4022039

Structure parameters

• Formula: C28 H29 N O3 Si
• Calculated formula: C28 H29 N O3 Si
• SMILES: [Si](C1=C[C@@H](O[C@H]1c1ccccc1)N1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1)(C)(C)C.[Si](C1=C[C@H](O[C@@H]1c1ccccc1)N1C(=O)O[C@@H](c2ccccc2)[C@H]1c1ccccc1)(C)(C)C
• Title of publication: Gold-Catalyzed and N-Iodosuccinimide-Mediated Cyclization of -Substituted Allenamides
• Authors of publication: Christopher J. T. Hyland; Louis S. Hegedus
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 8658 - 8660
• a: 16.2933 ± 0.0019 Å
• b: 12.0291 ± 0.0014 Å
• c: 27.005 ± 0.003 Å
• α: 90°
• β: 99.948 ± 0.002°
• γ: 90°
• Cell volume: 5213.3 ± 1.1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.1145
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1588
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No