Information card for entry 2229820

Structure parameters

• Chemical name: 7-Fluoro-4-oxochromene-3-carbaldehyde
• Formula: C10 H5 F O3
• Calculated formula: C10 H5 F O3
• SMILES: Fc1cc2occ(c(=O)c2cc1)C=O
• Title of publication: 7-Fluoro-4-oxochromene-3-carbaldehyde
• Authors of publication: Asad, Mohammad; Oo, Chuan-Wei; Osman, Hasnah; Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o766
• a: 3.7294 ± 0.0001 Å
• b: 6.2347 ± 0.0002 Å
• c: 34.6518 ± 0.0011 Å
• α: 90°
• β: 90.74 ± 0.001°
• γ: 90°
• Cell volume: 805.65 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0463
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes