Information card for entry 1553362

Structure parameters

• Common name: Alstonoxine F
• Formula: C20 H28 N2 O5
• Calculated formula: C20 H28 N2 O5
• SMILES: O[C@H](C[C@@H]1C[C@@H]2N([C@@H](C[C@]32C(=O)N(c2c3cccc2)C)[C@@H]1CO)C=O)C.O
• Title of publication: Ajmaline, Oxindole, and Cytotoxic Macroline-Akuammiline Bisindole Alkaloids from Alstonia penangiana.
• Authors of publication: Yeap, Joanne Soon-Yee; Navanesan, Suerialoasan; Sim, Kae-Shin; Yong, Kien-Thai; Gurusamy, Subramaniam; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok
• Journal of publication: Journal of natural products
• Year of publication: 2018
• Journal volume: 81
• Journal issue: 5
• Pages of publication: 1266 - 1277
• a: 8.2777 ± 0.0008 Å
• b: 11.3247 ± 0.0009 Å
• c: 10.202 ± 0.0007 Å
• α: 90°
• β: 94.708 ± 0.008°
• γ: 90°
• Cell volume: 953.13 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0832
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.1866
• Weighted residual factors for all reflections included in the refinement: 0.1984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.256
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No