Information card for entry 1549093

Structure parameters

• Formula: C30 H38 O7
• Calculated formula: C30 H38 O7
• SMILES: Oc1cc(O)c2c(O[C@]34[C@H](C2=O)[C@@H](OCC)[C@@H]2C[C@H]3C(O[C@]4(C2=O)CC=C(C)C)(C)C)c1C(C)(C)C=C.Oc1cc(O)c2c(O[C@@]34[C@@H](C2=O)[C@H](OCC)[C@H]2C[C@@H]3C(O[C@@]4(C2=O)CC=C(C)C)(C)C)c1C(C)(C)C=C
• Title of publication: Bioassay- and Chemistry-Guided Isolation of Scalemic Caged Prenylxanthones from the Leaves of Garcinia bracteata
• Authors of publication: Niu, Sheng-Li; Li, Da-Hong; Li, Xin-Yu; Wang, Yue-Tong; Li, Sheng-Ge; Bai, Jiao; Pei, Yue-Hu; Jing, Yong-Kui; Li, Zhan-Lin; Hua, Hui-Ming
• Journal of publication: Journal of Natural Products
• Year of publication: 2018
• a: 14.317 ± 0.005 Å
• b: 8.341 ± 0.005 Å
• c: 22.569 ± 0.005 Å
• α: 90°
• β: 98.276 ± 0.005°
• γ: 90°
• Cell volume: 2667.1 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1734
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No