Information card for entry 7051335

Structure parameters

• Formula: C5 H19 Br2 N3 O
• Calculated formula: C5 H18 Br2 N3 O
• SMILES: [Br-].[Br-].O.[NH3+]CCCNCC[NH3+]
• Journal of publication: New Journal of Chemistry
• Year of publication: 2000
• a: 4.8037 ± 0.001 Å
• b: 11.005 ± 0.002 Å
• c: 10.871 ± 0.002 Å
• α: 90°
• β: 95.63 ± 0.03°
• γ: 90°
• Cell volume: 571.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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