Information card for entry 1545277

Structure parameters

• Formula: C18 H26 N2 O4
• Calculated formula: C18 H26 N2 O4
• SMILES: C1CC[C@@]23C[C@H]4[C@@](C(=O)N13)(C[C@@H](C4(C)C)CC(=O)OC)N(C2=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: 9.4759 ± 0.0007 Å
• b: 9.4759 ± 0.0007 Å
• c: 16.7019 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1298.79 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No