Information card for entry 1552924

Structure parameters

• Formula: C30 H34 O6
• Calculated formula: C30 H34 O6
• SMILES: Oc1c(c2O[C@]3(CC[C@@H](O)C(=C)CC[C@@H]4[C@@H]3CC4(C)C)C[C@@H](c2c(O)c1C=O)c1ccccc1)C=O
• Title of publication: Psiguadiols A–J, Rearranged Meroterpenoids as Potent PTP1B Inhibitors from Psidium guajava
• Authors of publication: Hou, Ji-Qin; Fan, Chun-Lin; Pei, Xin; Zhang, Pei-Lin; Deng, Fan; Jiang, Wan-Qiang; Wang, Guo-Cai; Zhang, Xiao-Qi; Ye, Wen-Cai; Wang, Hao
• Journal of publication: Journal of Natural Products
• Year of publication: 2019
• a: 6.4127 ± 0.0004 Å
• b: 17.8732 ± 0.0012 Å
• c: 22.4543 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2573.6 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 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: 0.0842
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.1902
• Weighted residual factors for all reflections included in the refinement: 0.1959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No