Information card for entry 1547115

Structure parameters

• Formula: C30 H36 O7
• Calculated formula: C30 H36 O7
• SMILES: O=C([C@@H]1[C@@H]2[C@](O)([C@@H]([C@@H](OC(=O)c3ccccc3)[C@]3(OC(=O)C(C)C)[C@H]2C3(C)C)C)[C@H]2[C@@H]1C(=O)C(=C2)C)C
• Title of publication: Natural and Semisynthetic Tigliane Diterpenoids with New Carbon Skeletons from Euphorbia dracunculoides as a Wnt Signaling Pathway Inhibitor.
• Authors of publication: Wang, Li; Yang, Jing; Kong, Ling-Mei; Deng, Jun; Xiong, Zijun; Huang, Jianping; Luo, Jianying; Yan, Yijun; Hu, Yikao; Li, Xiao-Nian; Li, Yan; Zhao, Yong; Huang, Sheng-Xiong
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 14
• Pages of publication: 3911 - 3914
• a: 8.2009 ± 0.0004 Å
• b: 17.7433 ± 0.0007 Å
• c: 18.2546 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2656.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.165
• Residual factor for significantly intense reflections: 0.1305
• Weighted residual factors for significantly intense reflections: 0.3415
• Weighted residual factors for all reflections included in the refinement: 0.388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.426
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No