Information card for entry 1547858

Structure parameters

• Common name: (-)-19-Hydroxyeburnamenine
• Formula: C19 H22 N2 O
• Calculated formula: C19 H22 N2 O
• SMILES: c12c3CCN4CCC[C@@]([C@H](C)O)(C=Cn2c2ccccc32)[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: 8.65954 ± 0.00013 Å
• b: 7.95159 ± 0.00011 Å
• c: 11.56157 ± 0.00018 Å
• α: 90°
• β: 98.5016 ± 0.0015°
• γ: 90°
• Cell volume: 787.35 ± 0.02 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 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: 0.0297
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No