Information card for entry 1544814

Structure parameters

• Formula: C15 H18 O5
• Calculated formula: C15 H18 O5
• SMILES: O=C1c2c(O)cc(c(O)c2[C@H](O)[C@H]2C[C@@H](O)CC[C@H]12)C
• Title of publication: Antioxidant Hydroanthraquinones from the Marine Algal-Derived Endophytic Fungus Talaromyces islandicus EN-501.
• Authors of publication: Li, Hong-Lei; Li, Xiao-Ming; Li, Xin; Wang, Chen-Yin; Liu, Hui; Kassack, Matthias U.; Meng, Ling-Hong; Wang, Bin-Gui
• Journal of publication: Journal of natural products
• Year of publication: 2017
• Journal volume: 80
• Journal issue: 1
• Pages of publication: 162 - 168
• a: 10.2447 ± 0.0006 Å
• b: 8.1822 ± 0.0004 Å
• c: 16.059 ± 0.0008 Å
• α: 90°
• β: 100.634 ± 0.002°
• γ: 90°
• Cell volume: 1323.01 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0555
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No