Information card for entry 4024837

Structure parameters

• Formula: C24 H34 N2 O3 S Si
• Calculated formula: C24 H34 N2 O3 S Si
• SMILES: S(=O)(=O)(NC[C@@H]1NC(=O)C[C@H]1[Si](c1ccccc1)(C(C)C)C(C)C)c1ccc(cc1)C.S(=O)(=O)(NC[C@H]1NC(=O)C[C@@H]1[Si](c1ccccc1)(C(C)C)C(C)C)c1ccc(cc1)C
• 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: 16.431 ± 0.003 Å
• b: 7.8966 ± 0.0013 Å
• c: 37.563 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4873.6 ± 1.4 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No