Information card for entry 1545008

Structure parameters

• Formula: C15 H18 O9
• Calculated formula: C15 H18 O9
• SMILES: O=C1O[C@@H](Cc2c(O)c(O[C@H]3O[C@@H]([C@@H](O)[C@H]3O)CO)cc(O)c12)C
• Title of publication: α-Glucosidase Inhibitors from Malbranchea flavorosea.
• Authors of publication: Verastegui-Omaña, Brisa; Rebollar-Ramos, Daniela; Pérez-Vásquez, Araceli; Martínez, Ana Laura; Madariaga-Mazón, Abraham; Flores-Bocanegra, Laura; Mata, Rachel
• Journal of publication: Journal of natural products
• Year of publication: 2017
• Journal volume: 80
• Journal issue: 1
• Pages of publication: 190 - 195
• a: 5.1645 ± 0.0004 Å
• b: 13.0453 ± 0.0009 Å
• c: 22.127 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1490.75 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0428
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No