Information card for entry 7119883

Structure parameters

• Formula: C23 H24 Br N O4
• Calculated formula: C23 H24 Br N O4
• SMILES: Brc1cc(CN2C(=O)C=C[C@@]2(c2ccccc2)CCC(=O)C)c(OC)cc1OC
• 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: 17.5157 ± 0.0004 Å
• b: 28.4071 ± 0.0006 Å
• c: 34.7703 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17300.7 ± 0.6 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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 significantly intense reflections: 0.0368
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No