Information card for entry 1547851

Structure parameters

• Common name: Eburnamonine
• Formula: C19 H22 N2 O
• Calculated formula: C19 H22 N2 O
• SMILES: c12c3CCN4CCC[C@@](CC(=O)n2c2c3cccc2)(CC)[C@H]14.c12c3CCN4CCC[C@](CC(=O)n2c2c3cccc2)(CC)[C@@H]14
• Title of publication: Biosynthetic Enantiodivergence in the Eburnane Alkaloids from Kopsia.
• Authors of publication: Chong, Kam-Weng; Yeap, Joanne Soon-Yee; Lim, Siew-Huah; Weber, Jean-Frédéric F; Low, Yun-Yee; Kam, Toh-Seok
• Journal of publication: Journal of natural products
• Year of publication: 2017
• Journal volume: 80
• Journal issue: 11
• Pages of publication: 3014 - 3024
• a: 9.0178 ± 0.0004 Å
• b: 10.4563 ± 0.0004 Å
• c: 16.4936 ± 0.0009 Å
• α: 90°
• β: 102.262 ± 0.005°
• γ: 90°
• Cell volume: 1519.75 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No