Information card for entry 7219063

Structure parameters

• Formula: C31 H40 O6
• Calculated formula: C31 H40 O6
• SMILES: [C@@]12(C(=O)C(=C3[C@](C[C@H](O)O3)(C[C@@H](C1(C)C)CC=C(C)C)C2=O)CC=C(C)C)C(=O)c1ccccc1.CO
• Title of publication: Hyperattenins A–I, Bioactive Polyprenylated Acylphloroglucinols from Hypericum attenuatum Choisy
• Authors of publication: Li, Dongyan; Xue, Yongbo; Zhu, Hucheng; Li, Yan; Sun, Bin; Liu, Junjun; Yao, Guangmin; Zhang, Jinwen; Du, Guang; Zhang, Yonghui
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 10.3477 ± 0.0002 Å
• b: 15.2561 ± 0.0002 Å
• c: 18.035 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2847.11 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0422
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No