Information card for entry 1557707

Structure parameters

• Common name: dd_xcj20
• Formula: C20 H30 O7
• Calculated formula: C20 H30 O7
• SMILES: O(C(=O)C(=C\C)/C)[C@@H]1[C@@](O)([C@@H]2CC3=C(C)C(=O)O[C@@]3(O)C[C@]2(CC1)C)C.O
• Title of publication: Antimalarial Eudesmane Sesquiterpenoids from <i>Dobinea delavayi</i>.
• Authors of publication: Shen, Yi; Cui, Shu-Jun; Chen, Hao; Shen, Lei; Wang, Min; Dong, Xiang; Xiao, Chao-Jiang; Jiang, Bei
• Journal of publication: Journal of natural products
• Year of publication: 2020
• Journal volume: 83
• Journal issue: 4
• Pages of publication: 927 - 936
• a: 10.5287 ± 0.0005 Å
• b: 7.3127 ± 0.0004 Å
• c: 12.9166 ± 0.0006 Å
• α: 90°
• β: 94.614 ± 0.001°
• γ: 90°
• Cell volume: 991.27 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0357
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No