Information card for entry 2239727

Structure parameters

• Chemical name: 7-Chloro-4-oxo-4<i>H</i>-chromene-3-carbaldehyde
• Formula: C10 H5 Cl O3
• Calculated formula: C10 H5 Cl O3
• SMILES: Clc1ccc2c(=O)c(coc2c1)C=O
• Title of publication: 7-Chloro-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: 8
• Pages of publication: o831
• a: 3.823 ± 0.002 Å
• b: 5.973 ± 0.003 Å
• c: 18.386 ± 0.008 Å
• α: 85.99 ± 0.04°
• β: 87.74 ± 0.04°
• γ: 86.58 ± 0.04°
• Cell volume: 417.8 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes