Information card for entry 7224524

Structure parameters

• Chemical name: S-(–)-5,6,8-trihydroxy-4-(1?-hydroxyethyl)isocoumarin
• Formula: C11 H10 O6
• Calculated formula: C11 H10 O6
• SMILES: Oc1c2C([C@@H](O)C)=COC(=O)c2c(O)cc1O
• Title of publication: Isocoumarins and Benzofurans from the Mangrove Endophytic Fungus Talaromyces amestolkiae Possessing α-Glucosidase Inhibitory and Antibacterial Activities
• Authors of publication: Chen, Senhua; Liu, Yayue; Liu, Zhaoming; Cai, Ruilin; Lu, Yongjun; Huang, Xishan; She, Zhi-Gang
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 7.0831 ± 0.0002 Å
• b: 10.0442 ± 0.0002 Å
• c: 28.1976 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2006.09 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0312
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No