Information card for entry 1505188

Structure parameters

• Formula: C4 H9 O11
• Calculated formula: C4 H10 O11
• Title of publication: Cocrystal Design Gone Awry? A New Dimorphic Hydrate of Oxalic Acid
• Authors of publication: Wenger, Mazal; Bernstein, Joel
• Journal of publication: Molecular Pharmaceutics
• Year of publication: 2007
• Journal volume: 4
• Journal issue: 3
• Pages of publication: 355
• a: 6.337 ± 0.002 Å
• b: 7.247 ± 0.003 Å
• c: 10.571 ± 0.004 Å
• α: 94.345 ± 0.01°
• β: 100.244 ± 0.009°
• γ: 97.674 ± 0.011°
• Cell volume: 471 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0618
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No