Information card for entry 1545009

Structure parameters

• Formula: C11 H13 O5.5
• Calculated formula: C11 H13 O5.5
• SMILES: O.O=C1C=C[C@H]([C@@]2([C@H]1O)C(=O)OC(=C)[C@@H]2O)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: 20.881 ± 0.003 Å
• b: 7.2139 ± 0.0011 Å
• c: 7.1436 ± 0.0011 Å
• α: 90°
• β: 95.201 ± 0.004°
• γ: 90°
• Cell volume: 1071.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No