Information card for entry 7119882

Structure parameters

• Formula: C29 H29 N O4
• Calculated formula: C29 H29 N O4
• SMILES: O(c1ccc(c(OC)c1)CN1C(=O)C(=C[C@]1(CCC(=O)C)c1ccccc1)c1ccccc1)C
• Title of publication: Phase-transfer catalyzed asymmetric synthesis of α,β-unsaturated γ,γ-disubstituted γ-lactams.
• Authors of publication: Arlt, Alexander; Toyama, Hideaki; Takada, Koji; Hashimoto, Takuya; Maruoka, Keiji
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 35
• Pages of publication: 4779 - 4782
• a: 12.1816 ± 0.0003 Å
• b: 7.75707 ± 0.00017 Å
• c: 12.8655 ± 0.0003 Å
• α: 90°
• β: 101.439 ± 0.0014°
• γ: 90°
• Cell volume: 1191.56 ± 0.05 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1006
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No