Information card for entry 2003645

Structure parameters

• Formula: C6 H4 Br N O3
• Calculated formula: C6 H4 Br N O3
• Title of publication: 5-Bromo-2-(2-nitroethenyl)furan
• Authors of publication: Pomés, R.; Duque, J.; Novoa, H.; Castañedo, N.; Toscano, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 7
• Pages of publication: 1368 - 1369
• a: 7.37 ± 0.001 Å
• b: 10.919 ± 0.002 Å
• c: 9.887 ± 0.001 Å
• α: 90°
• β: 108.45 ± 0.01°
• γ: 90°
• Cell volume: 754.74 ± 0.19 ų
• Cell temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.06
• Goodness-of-fit parameter for significantly intense reflections: 1.61
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No