Information card for entry 2223693

Structure parameters

• Chemical name: (<i>E</i>)-1-Nitro-4-(2-nitroethenyl)benzene
• Formula: C8 H6 N2 O4
• Calculated formula: C8 H6 N2 O4
• SMILES: O=N(=O)/C=C/c1ccc(N(=O)=O)cc1
• Title of publication: (<i>E</i>)-1-Nitro-4-(2-nitroethenyl)benzene
• Authors of publication: Jing, Lin-Hai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2809
• a: 15.847 ± 0.004 Å
• b: 4.9991 ± 0.0011 Å
• c: 20.495 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1623.6 ± 0.7 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes