Information card for entry 2009047

Structure parameters

• Chemical name: Ammonium hydrogen trans-1-propene-1,3-dicarboxylate
• Formula: C5 H9 N O4
• Calculated formula: C5 H9 N O4
• SMILES: C(=C\CC(=O)O)/C(=O)[O-].[NH4+]
• Title of publication: Sodium hydrogen <i>trans</i>-glutaconate and ammonium hydrogen <i>trans</i>-glutaconate
• Authors of publication: Taka, Jun-ichiro; Kashino, Setsuo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 10
• Pages of publication: 1620 - 1623
• a: 10.669 ± 0.005 Å
• b: 18.479 ± 0.006 Å
• c: 7.28 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1435.3 ± 1.4 ų
• Cell temperature: 295 K
• Number of distinct elements: 4
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.51
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No