Information card for entry 2007723

Structure parameters

• Common name: 5-aminoisophthalic acid hemihydrate
• Formula: C8 H8 N O4.5
• Calculated formula: C8 H8 N O4.5
• Title of publication: 5-Aminoisophthalic Acid Hemihydrate
• Authors of publication: Dobson, Allison J.; Gerkin, Roger E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 1503 - 1505
• a: 8.207 ± 0.002 Å
• b: 17.445 ± 0.002 Å
• c: 11.151 ± 0.001 Å
• α: 90°
• β: 93.69 ± 0.01°
• γ: 90°
• Cell volume: 1593.2 ± 0.5 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.074
• Goodness-of-fit parameter for significantly intense reflections: 1.8
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No