Information card for entry 1546212

Structure parameters

• Formula: C21 H23 N3 O3
• Calculated formula: C21 H23 N3 O3
• SMILES: O=C1N2[C@@H]3C(=CCC[C@]3(/C(=N/Nc3ccccc3)CCC2)C(=O)OC)C=C1
• Title of publication: Asymmetric Total Synthesis of Pentacyclic Indole Alkaloid Andranginine and Absolute Configuration of Natural Product Isolated from Kopsia arborea.
• Authors of publication: Tooriyama, Shino; Mimori, Yuji; Wu, Yuqiu; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 10
• Pages of publication: 2722 - 2725
• a: 8.0393 ± 0.0002 Å
• b: 8.6325 ± 0.0003 Å
• c: 13.2604 ± 0.0004 Å
• α: 90°
• β: 90.9524 ± 0.0018°
• γ: 90°
• Cell volume: 920.13 ± 0.05 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.0671
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No