Information card for entry 7052583

Structure parameters

• Common name: (E,E)-1-(2-(4-nitrophenyl)ethenyl)-4-(2-(3,4,5- trimethoxyphenyl)ethenyl)benzene
• Chemical name: (E,E)-1-[2-(4-nitrophenyl)ethenyl]-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]benzene
• Formula: C25 H23 N O5
• Calculated formula: C25 H23 N O5
• SMILES: c1(ccc(cc1)N(=O)=O)/C=C/c1ccc(cc1)/C=C/c1cc(c(c(c1)OC)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: 10.221 ± 0.002 Å
• b: 15.239 ± 0.003 Å
• c: 15.762 ± 0.004 Å
• α: 117.42 ± 0.02°
• β: 92.26 ± 0.02°
• γ: 93.52 ± 0.02°
• Cell volume: 2168.8 ± 0.9 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 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 all reflections: 0.1854
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.1858
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No