Information card for entry 7052584

Structure parameters

• Common name: (E,E)-1-(2-(4-nitrophenyl)ethenyl)-4-(2-(3,5- dimethoxyphenyl)ethenyl)benzene
• Chemical name: (E,E)-1-[2-(4-nitrophenyl)ethenyl]-4-[2-(3,5-dimethoxyphenyl)ethenyl]benzene
• Formula: C24 H21 N O4
• Calculated formula: C24 H21 N O4
• SMILES: c1(ccc(cc1)N(=O)=O)/C=C/c1ccc(cc1)/C=C/c1cc(cc(c1)OC)OC
• Title of publication: Asymmetrically substituted distyrylbenzenes and their polar crystal structures
• Authors of publication: Collas, Alain; Borger, Roeland De; Amanova, Tatyana; Vande Velde, Christophe M. L.; Baeke, Jan K.; Dommisse, Roger; Alsenoy, Christian Van; Blockhuys, Frank
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 3
• Pages of publication: 649
• a: 7.219 ± 0.002 Å
• b: 7.402 ± 0.002 Å
• c: 18.163 ± 0.005 Å
• α: 90°
• β: 95.29 ± 0.03°
• γ: 90°
• Cell volume: 966.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0875
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.1752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No