Information card for entry 2006948

Structure parameters

• Formula: C10 H22 N2 O4
• Calculated formula: C10 H22 N2 O4
• SMILES: C(=C\C(=O)[O-])/C(=O)[O-].[NH3+]C(C)C.C(C)(C)[NH3+]
• Title of publication: Ammonium and Isopropylammonium Salts of the Fumaric Acid Dianion
• Authors of publication: Hosomi, Hiroyuki; Ito, Yoshikatsu; Ohba, Shigeru
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 142 - 145
• a: 7.236 ± 0.002 Å
• b: 6.275 ± 0.002 Å
• c: 15.46 ± 0.002 Å
• α: 90°
• β: 99.55 ± 0.01°
• γ: 90°
• Cell volume: 692.2 ± 0.3 ų
• Cell temperature: 298 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.045
• Goodness-of-fit parameter for significantly intense reflections: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No