Information card for entry 5000403

Structure parameters

• Formula: C6 H8 O4
• Calculated formula: C6 H8 O4
• a: 7.73 ± 0.005 Å
• b: 9.836 ± 0.007 Å
• c: 9.402 ± 0.008 Å
• α: 90°
• β: 110.03 ± 0.04°
• γ: 90°
• Cell volume: 671.7 ± 0.9 ų
• Cell temperature: 101 K
• Ambient diffraction temperature: 101 K
• Number of distinct elements: 3
• 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: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 3.2033
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No