Information card for entry 1552574

Structure parameters

• Formula: C30 H39 N O6
• Calculated formula: C30 H39 N O6
• SMILES: O1[C@H]2CN3[C@@]1(C[C@H](C2)C)CC[C@@]1(C3=C[C@@]23[C@@H]4C[C@](OC3)(CC(=O)[C@@H]4[C@H](C(=O)[C@H]2[C@@]21CC(=O)OC2)C)C)C
• Title of publication: Anti-Lymphangiogenic Alkaloids from the Zoanthid <i>Zoanthus vietnamensis</i> Collected in Taiwan.
• Authors of publication: Chen, Shu-Rong; Wang, Shih-Wei; Chang, Fang-Rong; Cheng, Yuan-Bin
• Journal of publication: Journal of natural products
• Year of publication: 2019
• Journal volume: 82
• Journal issue: 10
• Pages of publication: 2790 - 2799
• a: 10.8456 ± 0.0003 Å
• b: 14.0649 ± 0.0004 Å
• c: 17.0765 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2604.89 ± 0.13 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0765
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No