Information card for entry 7051053

Structure parameters

• Formula: C12 H14 N4 O5
• Calculated formula: C12 H14 N4 O5
• SMILES: O=C1N(C(=O)N(C(=O)C1)C)C.O=N(=O)c1ccc(N)cc1
• Journal of publication: New Journal of Chemistry
• Year of publication: 2001
• Journal volume: 25
• Journal issue: 3
• Pages of publication: 408 - 415
• a: 7.586 ± 0.002 Å
• b: 16.547 ± 0.002 Å
• c: 10.856 ± 0.002 Å
• α: 90°
• β: 97.1 ± 0.02°
• γ: 90°
• Cell volume: 1352.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No