Information card for entry 4100245

Structure parameters

• Formula: C8 H16 N4 O5
• Calculated formula: C8 H16 N4 O5
• SMILES: O=C([C@@H](NC(=O)C[NH3+])Cc1[nH]cnc1)[O-].O.O
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 6.0389 ± 0.0007 Å
• b: 7.2672 ± 0.0009 Å
• c: 12.9258 ± 0.0015 Å
• α: 90°
• β: 99.908 ± 0.002°
• γ: 90°
• Cell volume: 558.8 ± 0.11 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No