Information card for entry 1517896

Structure parameters

• Common name: Alstoumerine oxindole
• Formula: C20 H26 N2 O4
• Calculated formula: C20 H26 N2 O4
• SMILES: C1(=O)[C@]2([C@@H]3C[C@@H]4[C@H]([C@H](C2)N3C=C4[C@H](C)O)CO)c2ccccc2N1C.O
• Title of publication: Oxidized Derivatives of Macroline, Sarpagine, and Pleiocarpamine Alkaloids from Alstonia angustifolia.
• Authors of publication: Tan, Shin-Jowl; Lim, Jun-Lee; Low, Yun-Yee; Sim, Kae-Shin; Lim, Siew-Huah; Kam, Toh-Seok
• Journal of publication: Journal of natural products
• Year of publication: 2014
• Journal volume: 77
• Journal issue: 9
• Pages of publication: 2068 - 2080
• a: 11.536 ± 0.0002 Å
• b: 19.2745 ± 0.0003 Å
• c: 8.1119 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1803.69 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No