Information card for entry 1546465

Structure parameters

• Formula: C20 H20 Br N O6
• Calculated formula: C20 H20 Br N O6
• SMILES: BrC1=C[C@@]2([C@H]3N(C(=O)OCc4ccccc4)[C@@H](C[C@H]3[C@H]1OC2=O)C(=O)O)CC
• Title of publication: Divergent Asymmetric Total Synthesis of (+)-Vincadifformine, (-)-Quebrachamine, (+)-Aspidospermidine, (-)-Aspidospermine, (-)-Pyrifolidine, and Related Natural Products.
• Authors of publication: Wang, Nengzhong; Du, Shuo; Li, Dong; Jiang, Xuefeng
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 12
• Pages of publication: 3167 - 3170
• a: 9.2873 ± 0.0004 Å
• b: 11.4628 ± 0.0004 Å
• c: 9.2961 ± 0.0004 Å
• α: 90°
• β: 98.91 ± 0.001°
• γ: 90°
• Cell volume: 977.71 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No