Information card for entry 7111886

Structure parameters

• Formula: C15 H17 N O4 S
• Calculated formula: C15 H17 N O4 S
• SMILES: S(=O)(=O)(NC[C@H]1C(=O)C[C@H]2O[C@@H]1C=C2)c1ccc(cc1)C
• Title of publication: Intermolecular (4+3) cycloadditions of aziridinyl enolsilanes
• Authors of publication: Sze Kui Lam; Sarah Lam; Wing-Tak Wong; Pauline Chiu
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 1738
• a: 5.0949 ± 0.0002 Å
• b: 12.0655 ± 0.0004 Å
• c: 24.209 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1488.19 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0417
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No