Information card for entry 1540691

Structure parameters

• Formula: C16 H20 O6
• Calculated formula: C16 H20 O6
• SMILES: c12c(cc(cc2O)O)C[C@@H](OC1=O)C[C@@H]1O[C@@H](C)[C@@H](O)CC1
• Title of publication: Dihydroisocoumarin Derivatives from Marine-Derived Fungal Isolates and Their Anti-inflammatory Effects in Lipopolysaccharide-Induced BV2 Microglia.
• Authors of publication: Kim, Dong-Cheol; Quang, Tran Hong; Ngan, Nguyen Thi Thanh; Yoon, Chi-Su; Sohn, Jae Hak; Yim, Joung Han; Feng, Yu; Che, Yongsheng; Kim, Youn-Chul; Oh, Hyuncheol
• Journal of publication: Journal of natural products
• Year of publication: 2015
• Journal volume: 78
• Journal issue: 12
• Pages of publication: 2948 - 2955
• a: 7.3761 ± 0.0002 Å
• b: 8.0325 ± 0.0005 Å
• c: 24.6298 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1459.28 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0375
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No