Information card for entry 7051083

Structure parameters

• Formula: C8 H11 N3 O5 S
• Calculated formula: C8 H11 N3 O5 S
• SMILES: c1(S(=O)(=O)[O-])cc(C(=O)O)ccc1.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: 7.701 ± 0.002 Å
• b: 30.779 ± 0.006 Å
• c: 9.425 ± 0.002 Å
• α: 90°
• β: 92.98 ± 0.03°
• γ: 90°
• Cell volume: 2231 ± 0.9 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: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1346
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No