Information card for entry 2234965

Structure parameters

• Chemical name: 4-(4-Nitrostyryl)-<i>N</i>,<i>N</i>-diphenylaniline
• Formula: C26 H20 N2 O2
• Calculated formula: C26 H20 N2 O2
• SMILES: O=N(=O)c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
• Title of publication: 4-(4-Nitrostyryl)-<i>N</i>,<i>N</i>-diphenylaniline
• Authors of publication: Zhang, Zhi-Wen; Liu, Yan-Qiu; Zhu, Yu-Chao; Wu, Jie-Ying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1933
• a: 8.4884 ± 0.0003 Å
• b: 8.9834 ± 0.0003 Å
• c: 27.088 ± 0.0008 Å
• α: 90°
• β: 96.5 ± 0.002°
• γ: 90°
• Cell volume: 2052.31 ± 0.12 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0954
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1538
• Weighted residual factors for all reflections included in the refinement: 0.185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes