Information card for entry 7226227

Structure parameters

• Formula: C17 H16 O8
• Calculated formula: C17 H16 O8
• SMILES: O=C1O[C@@H]2[C@@]3([C@@](CC(=O)c4cc(O)ccc4O)(C(=O)OC3)CC2)[C@@H]1O
• Title of publication: Isolation of lingzhifuran A and lingzhilactones D-F from Ganoderma lucidum as specific Smad3 phosphorylation inhibitors and total synthesis of lingzhifuran A
• Authors of publication: Ding, Wei-yi; Ai, Jun; Wang, Xinlong; Qiu, Fayang; Lu, Qing; Fang, Ping; Hou, Fan-Fan; yan, yong ming; Cheng, Yongxian
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 6.7105 ± 0.0003 Å
• b: 7.803 ± 0.0004 Å
• c: 15.2397 ± 0.0009 Å
• α: 90°
• β: 102.694 ± 0.002°
• γ: 90°
• Cell volume: 778.48 ± 0.07 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: 0.108
• Residual factor for significantly intense reflections: 0.1075
• Weighted residual factors for significantly intense reflections: 0.289
• Weighted residual factors for all reflections included in the refinement: 0.2892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.212
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No