Information card for entry 2229158

Structure parameters

• Chemical name: 2-(Furan-2-yl)-3-hydroxy-4<i>H</i>-chromen-4-one
• Formula: C13 H8 O4
• Calculated formula: C13 H8 O4
• SMILES: o1c(c(c(=O)c2ccccc12)O)c1occc1
• Title of publication: 2-(Furan-2-yl)-3-hydroxy-4<i>H</i>-chromen-4-one
• Authors of publication: Wera, Michał; Pivovarenko, Vasyl G.; Sikorski, Artur; Lis, Tadeusz; Błażejowski, Jerzy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o266
• a: 14.365 ± 0.008 Å
• b: 4.421 ± 0.003 Å
• c: 17.086 ± 0.01 Å
• α: 90°
• β: 110.91 ± 0.05°
• γ: 90°
• Cell volume: 1013.6 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes