Information card for entry 7100002

Structure parameters

• Formula: C17 H24 N4 O2
• Calculated formula: C17 H24 N4 O2
• SMILES: Nc1cc(nc(C2=N[C@H](CO2)C(C)C)c1)C1=N[C@@H](C(C)C)CO1
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 6.131 ± 0.001 Å
• b: 13.95 ± 0.002 Å
• c: 20.22 ± 0.003 Å
• α: 90°
• β: 91.021 ± 0.004°
• γ: 90°
• Cell volume: 1729.1 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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