Information card for entry 2203269

Structure parameters

• Chemical name: Guanidinium 4-hydroxy-3-carboxybenzene sulfonate
• Formula: C8 H11 N3 O6 S
• Calculated formula: C8 H11 N3 O6 S
• SMILES: S(=O)(=O)([O-])c1cc(c(O)cc1)C(=O)O.NC(=[NH2+])N
• Title of publication: Guanidinium 4-hydroxy-3-carboxybenzenesulfonate
• Authors of publication: Zhang, Xiu-Lian; Chen, Xiao-Ming; Ng^a^, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: o453 - o454
• a: 7.4072 ± 0.0006 Å
• b: 8.6995 ± 0.0007 Å
• c: 10.2525 ± 0.0008 Å
• α: 87.205 ± 0.001°
• β: 74.517 ± 0.001°
• γ: 66.277 ± 0.001°
• Cell volume: 581.6 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes