Information card for entry 1543161

Structure parameters

• Formula: C28 H40 O5
• Calculated formula: C28 H40 O5
• SMILES: O1[C@]2(CC=CC(C)(C[C@H](O)C(=C)CC[C@@H]2CC2=C1C(C(=O)C(=C2O)C(=O)C(C)C)(C)C)C)C
• Title of publication: Filicinic Acid Based Meroterpenoids with Anti-Epstein-Barr Virus Activities from Hypericum japonicum.
• Authors of publication: Hu, Linzhen; Zhang, Yu; Zhu, Hucheng; Liu, Junjun; Li, Hua; Li, Xiao-Nian; Sun, Weiguang; Zeng, Junfen; Xue, Yongbo; Zhang, Yonghui
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 9
• Pages of publication: 2272 - 2275
• a: 8.7878 ± 0.0005 Å
• b: 20.2223 ± 0.0011 Å
• c: 29.819 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5299.1 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0473
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No