Information card for entry 2220210

Structure parameters

• Chemical name: 4-nitrostilbene
• Formula: C14 H11 N O2
• Calculated formula: C14 H11 N O2
• SMILES: O=N(=O)c1ccc(cc1)/C=C/c1ccccc1
• Title of publication: Redetermination of 4-nitrostilbene
• Authors of publication: Moreno-Fuquen, Rodolfo; Aguirre, Lina; Kennedy, Alan R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2259
• a: 10.0839 ± 0.0003 Å
• b: 7.6849 ± 0.0002 Å
• c: 28.1176 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2178.94 ± 0.11 ų
• Cell temperature: 123 ± 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: 0.07
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes