Information card for entry 2239334

Structure parameters

• Chemical name: 6-Chloro-8-nitro-4-oxo-4<i>H</i>-chromene-3-carbaldehyde
• Formula: C10 H4 Cl N O5
• Calculated formula: C10 H4 Cl N O5
• SMILES: Clc1cc2c(=O)c(coc2c(N(=O)=O)c1)C=O
• Title of publication: 6-Chloro-8-nitro-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: 5
• Pages of publication: o547
• a: 18.585 ± 0.009 Å
• b: 10.4918 ± 0.0017 Å
• c: 11.094 ± 0.003 Å
• α: 90°
• β: 119.23 ± 0.03°
• γ: 90°
• Cell volume: 1887.8 ± 1.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes