Information card for entry 1546954

Structure parameters

• Formula: C19 H34 O3
• Calculated formula: C19 H34 O3
• SMILES: O[C@@H]1CC[C@H]2[C@](C1=C)(CC[C@@H]1[C@@]2(CC[C@](O)(C1)C)C)C.OC
• Title of publication: Isolation, Structure Elucidition, and Immunosuppressive Activity of Diterpenoids from Ligularia fischeri.
• Authors of publication: Gobu, Fekadu-Roge; Chen, Jian-Jun; Zeng, Jun; Wei, Wen-Jun; Wang, Wei-Feng; Lin, Chang-Jun; Gao, Kun
• Journal of publication: Journal of natural products
• Year of publication: 2017
• Journal volume: 80
• Journal issue: 8
• Pages of publication: 2263 - 2268
• a: 10.4703 ± 0.0008 Å
• b: 8.0849 ± 0.001 Å
• c: 33.511 ± 0.002 Å
• α: 90°
• β: 92.726 ± 0.006°
• γ: 90°
• Cell volume: 2833.5 ± 0.4 ų
• Cell temperature: 273.77 ± 0.1 K
• Ambient diffraction temperature: 273.77 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1313
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1809
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No