Information card for entry 2227058

Structure parameters

• Chemical name: (<i>E</i>)-2-(2-nitroethenyl)furan
• Formula: C6 H5 N O3
• Calculated formula: C6 H5 N O3
• SMILES: c1ccc(/C=C/N(=O)=O)o1
• Title of publication: A triclinic polymorph of (<i>E</i>)-2-(2-nitroethenyl)furan
• Authors of publication: Li, Lin; Yu, Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o1914
• a: 9.8407 ± 0.0014 Å
• b: 13.427 ± 0.0019 Å
• c: 15.3 ± 0.002 Å
• α: 91.105 ± 0.001°
• β: 108.603 ± 0.002°
• γ: 91.172 ± 0.001°
• Cell volume: 1914.9 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1248
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes