Information card for entry 1545278

Structure parameters

• Formula: C19 H25 N3 O4
• Calculated formula: C19 H25 N3 O4
• SMILES: O=C1N2CCC[C@@]32C[C@H]2[C@]1(N(C3=O)C)C[C@]1(C2(C)C)CC(=O)N(C1=O)C
• Title of publication: Sequential Oxidative and Reductive Radical Cyclization Approach toward Asperparaline C and Synthesis of Its 8-Oxo Analogue.
• Authors of publication: Amatov, Tynchtyk; Pohl, Radek; Cisařová, Ivana; Jahn, Ullrich
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 5
• Pages of publication: 1152 - 1155
• a: 6.3152 ± 0.0003 Å
• b: 16.8108 ± 0.0008 Å
• c: 8.4777 ± 0.0004 Å
• α: 90°
• β: 101.693 ± 0.001°
• γ: 90°
• Cell volume: 881.35 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0271
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No