Information card for entry 4100614

Structure parameters

• Formula: C5 H11 N3 O2
• Calculated formula: C5 H11 N3 O2
• SMILES: N1(=NOCCN1C(C)C)=O
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 6.314 ± 0.003 Å
• b: 7.148 ± 0.003 Å
• c: 16.263 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 734 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No