Information card for entry 1546418

Structure parameters

• Formula: C19 H20 O8
• Calculated formula: C19 H20 O8
• SMILES: O=C1c2c3c(C(=O)C1(O)C(C(=O)C)C)c(O)cc(OC)c3c(cc2O)C.O
• Title of publication: Anti-Cryptococcus Phenalenones and Cyclic Tetrapeptides from Auxarthron pseudauxarthron
• Authors of publication: Li, Yan; Yue, Qun; Jayanetti, Dinith R.; Swenson, Dale C.; Bartholomeusz, Geoffrey A.; An, Zhiqiang; Gloer, James B.; Bills, Gerald F.
• Journal of publication: Journal of Natural Products
• Year of publication: 2017
• a: 10.1479 ± 0.001 Å
• b: 10.1826 ± 0.001 Å
• c: 10.2083 ± 0.001 Å
• α: 102.993 ± 0.005°
• β: 96.964 ± 0.005°
• γ: 119.796 ± 0.005°
• Cell volume: 857.44 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1335
• Weighted residual factors for all reflections included in the refinement: 0.1504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No