Information card for entry 7051051

Structure parameters

• Formula: C6 H8 N2 O3
• Calculated formula: C6 H8 N2 O3
• SMILES: O=C1N(C(=O)N(C(=O)C1)C)C
• Journal of publication: New Journal of Chemistry
• Year of publication: 2001
• a: 15.642 ± 0.003 Å
• b: 29.006 ± 0.006 Å
• c: 6.556 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2974.5 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No