Information card for entry 4024836

Structure parameters

• Formula: C13 H16 N2 O Si
• Calculated formula: C13 H16 N2 O Si
• SMILES: [Si]([C@H]1[C@@H](NC(=O)C1)C#N)(C)(C)c1ccccc1.[Si]([C@@H]1[C@H](NC(=O)C1)C#N)(C)(C)c1ccccc1
• Title of publication: Formation of Medium-Sized Nitrogen Heterocycles from γ-Silyloxy-γ-Lactams
• Authors of publication: Nicholas M. Leonard; K. A. Woerpel
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 6915 - 6923
• a: 15.1467 ± 0.0016 Å
• b: 6.6838 ± 0.0007 Å
• c: 12.8779 ± 0.0013 Å
• α: 90°
• β: 90.948 ± 0.002°
• γ: 90°
• Cell volume: 1303.5 ± 0.2 ų
• Cell temperature: 155 ± 2 K
• Ambient diffraction temperature: 155 ± 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: 0.0519
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No