Information card for entry 2212153

Structure parameters

• Common name: guanidinium hydrogen fumarate
• Chemical name: guanidinium hydrogen fumarate
• Formula: C5 H9 N3 O4
• Calculated formula: C5 H9 N3 O4
• Title of publication: Anhydrous guanidinium hydrogen fumarate: a two-dimensional hydrogen-bonded network structure
• Authors of publication: Graham Smith; Urs D. Wermuth; David J. Young; Peter C. Healy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o556 - o557
• a: 5.4995 ± 0.0012 Å
• b: 18.842 ± 0.005 Å
• c: 3.6943 ± 0.0011 Å
• α: 90°
• β: 94.83 ± 0.02°
• γ: 90°
• Cell volume: 381.45 ± 0.17 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes