Information card for entry 7113637

Structure parameters

• Formula: C29 H35 N O2 Si
• Calculated formula: C29 H35 N O2 Si
• SMILES: c1(ccccc1)[C@H]([C@H]1[C@@H]([C@@H](c2ccccc2)N(C1=O)C(C)(C)C)[Si](c1ccccc1)(C)C)O.c1(ccccc1)[C@@H]([C@@H]1[C@H]([C@H](c2ccccc2)N(C1=O)C(C)(C)C)[Si](c1ccccc1)(C)C)O
• 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: 13.4281 ± 0.0016 Å
• b: 14.7339 ± 0.0018 Å
• c: 13.9497 ± 0.0016 Å
• α: 90°
• β: 110.399 ± 0.002°
• γ: 90°
• Cell volume: 2586.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7104848
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No