Information card for entry 2202429

Structure parameters

• Formula: C8 H6 O5
• Calculated formula: C8 H6 O5
• Title of publication: Disordered 4-hydroxyisophthalic acid
• Authors of publication: Philip J Cox; Marion T. Murphy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: o1108 - o1110
• a: 3.6831 ± 0.0003 Å
• b: 16.4717 ± 0.0014 Å
• c: 6.0485 ± 0.0004 Å
• α: 90°
• β: 90.229 ± 0.005°
• γ: 90°
• Cell volume: 366.94 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.2145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes