Information card for entry 1545425

Structure parameters

• Formula: C19 H26 N2 O5
• Calculated formula: C19 H26 N2 O5
• SMILES: C1CC[C@@]23C[C@H]4[C@@](C(=O)N13)(C[C@@]1(C4(C)C)CC(=O)O[C@H]1OC)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: 6.6697 ± 0.0003 Å
• b: 12.9985 ± 0.0005 Å
• c: 10.514 ± 0.0004 Å
• α: 90°
• β: 92.171 ± 0.001°
• γ: 90°
• Cell volume: 910.87 ± 0.06 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: 0.0337
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No