Information card for entry 7104849

Structure parameters

• Formula: C23 H31 N O S
• Calculated formula: C23 H31 N O S
• SMILES: S([C@H]1[C@@H](N(C(=O)[C@@H]1C)C(C)(C)C)c1ccccc1)(C)(C)c1ccccc1.S([C@@H]1[C@H](N(C(=O)[C@H]1C)C(C)(C)C)c1ccccc1)(C)(C)c1ccccc1
• Title of publication: β-Lactams or γ-lactams by 4-exo-trig or 5-endo-trig anionic cyclisation of lithiated acrylamide derivatives
• Authors of publication: Clayden, Jonathan; Watson, David W.; Helliwell, Madeleine; Chambers, Mark
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 20
• Pages of publication: 2582 - 2583
• a: 19.525 ± 0.003 Å
• b: 8.3728 ± 0.0012 Å
• c: 13.769 ± 0.002 Å
• α: 90°
• β: 90.682 ± 0.003°
• γ: 90°
• Cell volume: 2250.8 ± 0.6 ų
• Cell temperature: 293 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2434
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1448
• Weighted residual factors for all reflections included in the refinement: 0.1833
• Goodness-of-fit parameter for all reflections included in the refinement: 0.679
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No