Information card for entry 1572026

Structure parameters

• Common name: 1,2,4,5-Tetrahydroxybenzene
• Chemical name: Benzene-1,2,4,5-tetrol
• Formula: C6 H6 O4
• Calculated formula: C6 H6 O4
• Title of publication: Benzene-1,2,4,5-tetrol
• Authors of publication: Weare, Benjamin L.; Hoggett, Sean; Cull, William J.; Argent, Stephen P.; Khlobystov, Andrei N.; Brown, Paul D.
• Journal of publication: IUCrData
• Year of publication: 2024
• Journal volume: 9
• Journal issue: 6
• Pages of publication: x240612
• a: 3.7474 ± 0.0002 Å
• b: 11.6254 ± 0.0006 Å
• c: 13.7771 ± 0.0008 Å
• α: 68.407 ± 0.005°
• β: 85.779 ± 0.004°
• γ: 89.843 ± 0.004°
• Cell volume: 556.37 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0521
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No