Information card for entry 7051056

Structure parameters

• Formula: C17 H20 N6 O7
• Calculated formula: C17 H20 N6 O7
• SMILES: O=C1N(C(=O)N(C([O-])=C1C1(O)C(=O)N(C(=O)N(C1=O)C)C)C)C.[nH+]1ccc(N)cc1
• Journal of publication: New Journal of Chemistry
• Year of publication: 2001
• a: 10.111 ± 0.002 Å
• b: 11.747 ± 0.002 Å
• c: 9.369 ± 0.002 Å
• α: 107.72 ± 0.01°
• β: 109.66 ± 0.01°
• γ: 66.16 ± 0.01°
• Cell volume: 940 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No