Information card for entry 2243409

Structure parameters

• Chemical name: 1,4-Dimethoxy-2,5-bis[2-(4-nitrophenyl)ethenyl]benzene
• Formula: C24 H20 N2 O6
• Calculated formula: C24 H20 N2 O6
• SMILES: c1(OC)cc(c(cc1/C=C/c1ccc(N(=O)=O)cc1)OC)/C=C/c1ccc(N(=O)=O)cc1
• Title of publication: Molecular and crystal structure, optical properties and DFT studies of 1,4-dimethoxy-2,5-bis[2-(4-nitrophenyl)ethenyl]benzene
• Authors of publication: Bogdanov, Georgii; Oskolkov, Evgenii; Bustos, Jenna; Glebov, Viktor; Tillotson, John P.; Timofeeva, Tatiana V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 6
• Pages of publication: 940 - 943
• a: 7.9074 ± 0.001 Å
• b: 12.4794 ± 0.0016 Å
• c: 10.6248 ± 0.0014 Å
• α: 90°
• β: 102.394 ± 0.003°
• γ: 90°
• Cell volume: 1024 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes