Information card for entry 8000184

Structure parameters

• Formula: C22 H30 O7
• Calculated formula: C22 H30 O7
• SMILES: [C@@H]1(CC[C@H]2[C@]3([C@@]1([C@@H](C1=C([C@H]4C[C@@](C(=O)O2)([C@]1(C3)O4)COC(=O)C)C)OC)C)O)C
• Title of publication: Four New Eremophilane Derivatives from Ligularia sagitta
• Authors of publication: Li, Ping-Lin; Zhang, Zhan-Xin; Jia, Zhong-Jian
• Journal of publication: Chemistry Letters
• Year of publication: 2008
• Journal volume: 37
• Journal issue: 3
• Pages of publication: 308
• a: 7.1629 ± 0.0002 Å
• b: 14.2956 ± 0.0003 Å
• c: 10.1682 ± 0.0003 Å
• α: 90°
• β: 91.774 ± 0.001°
• γ: 90°
• Cell volume: 1040.7 ± 0.05 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0355
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.32
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No