Information card for entry 2239637

Structure parameters

• Chemical name: 8-Chloro-4-oxo-4<i>H</i>-chromene-3-carbaldehyde
• Formula: C10 H5 Cl O3
• Calculated formula: C10 H5 Cl O3
• SMILES: O=Cc1coc2c(c1=O)cccc2Cl
• Title of publication: 8-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: 7
• Pages of publication: o743
• a: 6.9436 ± 0.0015 Å
• b: 7.1539 ± 0.0017 Å
• c: 9.165 ± 0.002 Å
• α: 102.049 ± 0.019°
• β: 103.403 ± 0.017°
• γ: 100.65 ± 0.019°
• Cell volume: 419.89 ± 0.18 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: 0.0275
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes