Information card for entry 7100393

Structure parameters

• Formula: C4 H7 N O
• Calculated formula: C4 H7 N O
• SMILES: O=C(N)C(=C)C
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 5.72 ± 0.0004 Å
• b: 10.16 ± 0.0005 Å
• c: 16.241 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 943.85 ± 0.09 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No