Information card for entry 1547857

Structure parameters

• Common name: (-)-19-Hydroxy-O-ethylisoeburnamine
• Formula: C21 H28 N2 O2
• Calculated formula: C21 H28 N2 O2
• SMILES: n12c3c(CCN4CCC[C@]([C@@H]34)(C[C@H]1OCC)[C@H](C)O)c1c2cccc1
• 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: 8.49956 ± 0.00018 Å
• b: 12.2136 ± 0.0003 Å
• c: 16.9889 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1763.62 ± 0.07 ų
• Cell temperature: 143.3 ± 0.9 K
• Ambient diffraction temperature: 143.3 ± 0.9 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No