Information card for entry 1552592

Structure parameters

• Formula: C19 H16 O6
• Calculated formula: C19 H16 O6
• SMILES: O1C2(Oc3cccc4cccc1c34)C=C[C@H](O)C\2=C\C=C\C(=O)O.O
• Title of publication: Sparticolins A-G, Biologically Active Oxidized Spirodioxynaphthalene Derivatives from the Ascomycete <i>Sparticola junci</i>.
• Authors of publication: Phukhamsakda, Chayanard; Macabeo, Allan Patrick G.; Huch, Volker; Cheng, Tian; Hyde, Kevin D.; Stadler, Marc
• Journal of publication: Journal of natural products
• Year of publication: 2019
• Journal volume: 82
• Journal issue: 10
• Pages of publication: 2878 - 2885
• a: 5.5027 ± 0.0004 Å
• b: 7.9285 ± 0.0005 Å
• c: 36.706 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1601.42 ± 0.18 ų
• Cell temperature: 152 ± 2 K
• Ambient diffraction temperature: 152 ± 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: 0.0244
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No