Information card for entry 1547854

Structure parameters

• Common name: (-)-Leucophyllidine
• Formula: C42 H52 N4 O3
• Calculated formula: C42 H52 N4 O3
• SMILES: Oc1cc2nc3N4CCC[C@@](C4)(Cc3c(c2cc1[C@H]1n2c3[C@@H]4N(CCC[C@@]4(C1)CC)CCc3c1c2cccc1)C=C)CC.O(C(=O)C)CC
• 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: 12.7943 ± 0.0004 Å
• b: 8.5404 ± 0.0002 Å
• c: 17.244 ± 0.0006 Å
• α: 90°
• β: 108.984 ± 0.004°
• γ: 90°
• Cell volume: 1781.74 ± 0.1 ų
• Cell temperature: 157 ± 2 K
• Ambient diffraction temperature: 157 ± 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: 0.0602
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No