Information card for entry 2223341

Structure parameters

• Chemical name: (<i>E</i>)-1-(2-Nitroethenyl)naphthalene
• Formula: C12 H9 N O2
• Calculated formula: C12 H9 N O2
• SMILES: O=N(=O)/C=C/c1cccc2ccccc12
• Title of publication: (<i>E</i>)-1-(2-Nitroethenyl)naphthalene
• Authors of publication: Jing, Lin-Hai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2521
• a: 7.267 ± 0.0014 Å
• b: 13.741 ± 0.003 Å
• c: 19.127 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1909.9 ± 0.7 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 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
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes