Information card for entry 7059782

Structure parameters

• Chemical name: Ethyl (E)-3-[4'-(diphenylamino)-[1,1'-biphenyl]-4-yl]acrylate
• Formula: C29 H25 N O2
• Calculated formula: C29 H25 N O2
• SMILES: c1(ccc(cc1)c1ccc(cc1)N(c1ccccc1)c1ccccc1)/C=C/C(=O)OCC
• Title of publication: Design, synthesis, structure, and photophysical features of highly emissive cinnamic derivatives
• Authors of publication: Paolino, Marco; Reale, Annalisa; Razzano, Vincenzo; Giorgi, Gianluca; Giuliani, Germano; Villafiorita-Monteleone, Francesca; Botta, Chiara; Coppola, Carmen; Sinicropi, Adalgisa; Cappelli, Andrea
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 32
• Pages of publication: 13644 - 13653
• a: 10.2256 ± 0.0006 Å
• b: 10.6901 ± 0.0007 Å
• c: 20.4388 ± 0.0014 Å
• α: 97.5 ± 0.005°
• β: 91.855 ± 0.005°
• γ: 90.003 ± 0.005°
• Cell volume: 2213.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0895
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.1961
• Weighted residual factors for all reflections included in the refinement: 0.205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No