Information card for entry 1529318

Structure parameters

• Formula: C19 H18 O8
• Calculated formula: C19 H18 O8
• SMILES: O(C(=O)c1cc(OC)cc(OC)c1C(=O)c1c2OC(C)CC(=O)c2oc1)C
• Title of publication: Polyketides with α-Glucosidase Inhibitory Activity from a Mangrove Endophytic Fungus, Penicillium sp. HN29-3B1.
• Authors of publication: Liu, Yayue; Yang, Qin; Xia, Guoping; Huang, Hongbo; Li, Hanxiang; Ma, Lin; Lu, Yongjun; He, Lei; Xia, Xuekui; She, Zhigang
• Journal of publication: Journal of natural products
• Year of publication: 2015
• Journal volume: 78
• Journal issue: 8
• Pages of publication: 1816 - 1822
• a: 13.6047 ± 0.0005 Å
• b: 7.4884 ± 0.0002 Å
• c: 17.5684 ± 0.0005 Å
• α: 90°
• β: 101.622 ± 0.003°
• γ: 90°
• Cell volume: 1753.13 ± 0.1 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: 0.0512
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No