Information card for entry 7113639

Structure parameters

• Formula: C26 H34 N2 O2
• Calculated formula: C26 H34 N2 O2
• SMILES: c1(ccccc1)[C@H]1[C@H](C(=O)N1C(C)(C)C)CC(=O)N(Cc1ccccc1)C(C)(C)C.c1(ccccc1)[C@@H]1[C@@H](C(=O)N1C(C)(C)C)CC(=O)N(Cc1ccccc1)C(C)(C)C
• 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: 9.5352 ± 0.0009 Å
• b: 10.0905 ± 0.0009 Å
• c: 12.3707 ± 0.0012 Å
• α: 84.715 ± 0.002°
• β: 80.481 ± 0.002°
• γ: 88.086 ± 0.002°
• Cell volume: 1168.67 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7104850
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No