Information card for entry 2239713

Structure parameters

• Chemical name: 8-Fluoro-4-oxo-4<i>H</i>-chromene-3-carbaldehyde
• Formula: C10 H5 F O3
• Calculated formula: C10 H5 F O3
• SMILES: Fc1cccc2c(=O)c(coc12)C=O
• Title of publication: 8-Fluoro-4-oxo-4<i>H</i>-chromene-3-carbaldehyde
• Authors of publication: Ishikawa, Yoshinobu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 7
• Pages of publication: o774
• a: 6.6643 ± 0.0012 Å
• b: 8.395 ± 0.005 Å
• c: 14.247 ± 0.004 Å
• α: 90°
• β: 97.865 ± 0.016°
• γ: 90°
• Cell volume: 789.6 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes