Information card for entry 1502491

Structure parameters

• Formula: C32 H34 N2 O10
• Calculated formula: C32 H34 N2 O10
• SMILES: N1(C(=O)[C@H]2c3c4c(C[C@@H]1C(=O)OC)cn(c4ccc3O[C@@H]2c1cc2OCOc2cc1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
• Title of publication: Total synthesis of (+)-decursivine.
• Authors of publication: Sun, Deqian; Zhao, Qiwu; Li, Chaozhong
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 19
• Pages of publication: 5302 - 5305
• a: 8.974 ± 0.009 Å
• b: 14.304 ± 0.014 Å
• c: 24.8 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3183 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No