Information card for entry 2205560

Structure parameters

• Formula: C15 H13 N O2
• Calculated formula: C15 H13 N O2
• SMILES: O=N(=O)c1ccc(cc1)/C=C/c1ccc(cc1)C
• Title of publication: (<i>E</i>)-1-(4-Methylphenyl)-2-(4-nitrophenyl)ethene
• Authors of publication: De Borger, Roeland; Vande Velde, Christophe M.L.; Blockhuys, Frank
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o819 - o821
• a: 7.339 ± 0.001 Å
• b: 7.521 ± 0.001 Å
• c: 12.23 ± 0.004 Å
• α: 98.66 ± 0.02°
• β: 99.26 ± 0.02°
• γ: 111.13 ± 0.01°
• Cell volume: 605.3 ± 0.2 ų
• Cell temperature: 291 ± 1 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 significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.1838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes