Information card for entry 4100248

Structure parameters

• Formula: C11 H16 N4 O5
• Calculated formula: C11 H16 N4 O5
• SMILES: O=C(N[C@@H](CCC(=O)O)C(=O)[O-])[C@@H]([NH3+])Cc1nc[nH]c1
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 4.9316 ± 0.0007 Å
• b: 15.472 ± 0.002 Å
• c: 8.6253 ± 0.0013 Å
• α: 90°
• β: 99.102 ± 0.004°
• γ: 90°
• Cell volume: 649.84 ± 0.17 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