Information card for entry 2005837

Structure parameters

• Formula: C11 H9 Cl2 N O6
• Calculated formula: C11 H9 Cl2 N O6
• Title of publication: α,α-Diacetoxy-2,4-dichloro-5-nitrobenzaldehyde
• Authors of publication: Huang, S. D.; Cox, O.; Cordero, M.; Piñeiro, S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 3116 - 3118
• a: 12.661 ± 0.003 Å
• b: 7.216 ± 0.001 Å
• c: 14.796 ± 0.002 Å
• α: 90°
• β: 105.44 ± 0.02°
• γ: 90°
• Cell volume: 1303 ± 0.4 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.0665
• Goodness-of-fit parameter for significantly intense reflections: 2.63
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No