Information card for entry 2240908

Structure parameters

• Chemical name: 7,8-Dichloro-4-oxo-4<i>H</i>-chromene-3-carbaldehyde
• Formula: C10 H4 Cl2 O3
• Calculated formula: C10 H4 Cl2 O3
• SMILES: Clc1ccc2c(=O)c(coc2c1Cl)C=O
• Title of publication: Crystal structure of 7,8-dichloro-4-oxo-4<i>H</i>-chromene-3-carbaldehyde
• Authors of publication: Ishikawa, Yoshinobu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 8
• Pages of publication: 902 - 905
• a: 23.091 ± 0.007 Å
• b: 3.7704 ± 0.0018 Å
• c: 10.729 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 934.1 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for all reflections included in the refinement: 0.0565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes