Information card for entry 7051084

Structure parameters

• Formula: C8 H11 N3 O5 S
• Calculated formula: C8 H11 N3 O5 S
• SMILES: S(=O)(=O)(c1ccc(cc1)C(=O)O)[O-].C(=[NH2+])(N)N
• Authors of publication: Veneta Videnova-Adrabinska; El¿bieta Janeczko; Teresa Borowiak; Grzegorz Dutkiewicz
• Journal of publication: New Journal of Chemistry
• Year of publication: 2001
• a: 10.626 ± 0.002 Å
• b: 15.597 ± 0.003 Å
• c: 7.182 ± 0.001 Å
• α: 90°
• β: 103.38 ± 0.02°
• γ: 90°
• Cell volume: 1158 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.118
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No