Information card for entry 2004576

Structure parameters

• Formula: C10 H9 N O5
• Calculated formula: C10 H9 N O5
• Title of publication: Xanthurenic Acid Monohydrate
• Authors of publication: Okabe, N.; Miura, J.; Shimosaki, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 3
• Pages of publication: 663 - 665
• a: 7.71 ± 0.005 Å
• b: 12.354 ± 0.002 Å
• c: 10.92 ± 0.002 Å
• α: 90°
• β: 106.92 ± 0.02°
• γ: 90°
• Cell volume: 995.1 ± 0.7 ų
• Cell temperature: 296 K
• Number of distinct elements: 4
• 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: 0.072
• Weighted residual factors for significantly intense reflections: 0.087
• Goodness-of-fit parameter for significantly intense reflections: 2.64
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No