Information card for entry 8102847

Structure parameters

• Chemical name: benzene-1,4-dioxydiacetic acid
• Formula: C10 H10 O6
• Calculated formula: C10 H10 O6
• Title of publication: Crystal structure of benzene-1,4-dioxydiacetic acid, C10H10O6
• Authors of publication: Rui-Hong Deng; Dong-Hua Chen; Bo-Wen Lai; Hui-Liang Wen
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 4
• Pages of publication: 719
• a: 6.425 ± 0.003 Å
• b: 6.913 ± 0.005 Å
• c: 6.967 ± 0.003 Å
• α: 105.231 ± 0.007°
• β: 116.289 ± 0.004°
• γ: 104.618 ± 0.006°
• Cell volume: 242.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No