Information card for entry 1552572

Structure parameters

• Formula: C32 H39 F3 N O9
• Calculated formula: C32 H39 F3 N O9
• SMILES: O1[C@H]2C[N+]3[C@@]1(C[C@H](C2)C)CC[C@@]1(C=3[C@@H](O)[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.FC(F)(F)C(=O)[O-]
• 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: 11.4676 ± 0.0005 Å
• b: 11.4676 ± 0.0005 Å
• c: 38.8463 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4424.1 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.1894
• Residual factor for significantly intense reflections: 0.0862
• Weighted residual factors for significantly intense reflections: 0.189
• Weighted residual factors for all reflections included in the refinement: 0.2633
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No