Information card for entry 4024838

Structure parameters

• Formula: C31 H45 N O6 S Si
• Calculated formula: C31 H45 N O6 S Si
• SMILES: S(=O)(=O)(OC[C@@H]1N(C(=O)[C@@H]([C@]1([Si](C(C)C)(C(C)C)c1ccccc1)C)C)C(=O)OC(C)(C)C)c1ccc(cc1)C.S(=O)(=O)(OC[C@H]1N(C(=O)[C@H]([C@@]1([Si](C(C)C)(C(C)C)c1ccccc1)C)C)C(=O)OC(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: 19.3855 ± 0.0016 Å
• b: 9.347 ± 0.0008 Å
• c: 17.3356 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3141.1 ± 0.5 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No