Information card for entry 1545200

Structure parameters

• Formula: C10 H7 Cl O3
• Calculated formula: C10 H7 Cl O3
• SMILES: Clc1ccc2C=CC(=O)OCc2c1O
• 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: 16.6863 ± 0.0007 Å
• b: 4.1596 ± 0.0002 Å
• c: 12.8685 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 893.18 ± 0.07 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No