Information card for entry 7240536

Structure parameters

• Common name: guanidinium ethoxysulfonate
• Chemical name: guanidinium ethoxysulfonate
• Formula: C3 H11 N3 O4 S
• Calculated formula: C3 H11 N3 O4 S
• Title of publication: Thermodynamic pathway between the non-polar and ferroelectric polymorphs of guanidinium ethoxysulfonate
• Authors of publication: Szafrański, Marek; Jarek, Marcin
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 7.897 ± 0.0002 Å
• b: 14.3744 ± 0.0003 Å
• c: 15.1386 ± 0.0003 Å
• α: 77.442 ± 0.002°
• β: 79.666 ± 0.002°
• γ: 88.939 ± 0.002°
• Cell volume: 1649.76 ± 0.07 ų
• Cell temperature: 300 ± 0.1 K
• Ambient diffraction temperature: 300 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1709
• Weighted residual factors for all reflections included in the refinement: 0.1914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No