Information card for entry 1543732

Structure parameters

• Chemical name: 1,1-Dicyano-2,2-bis(4-dimethoxyphenyl)ethylene
• Formula: C18 H14 N2 O2
• Calculated formula: C18 H14 N2 O2
• SMILES: O(c1ccc(C(=C(C#N)C#N)c2ccc(OC)cc2)cc1)C
• Title of publication: Structure-activity relationship for the solid state emission of a new family of "push-pull"π-extended chromophores.
• Authors of publication: Nitti, Andrea; Villafiorita-Monteleone, Francesca; Pacini, Aurora; Botta, Chiara; Virgili, Tersilla; Forni, Alessandra; Cariati, Elena; Boiocchi, Massimo; Pasini, Dario
• Journal of publication: Faraday discussions
• Year of publication: 2017
• Journal volume: 196
• Pages of publication: 143 - 161
• a: 17.518 ± 0.004 Å
• b: 8.6661 ± 0.0015 Å
• c: 10.772 ± 0.003 Å
• α: 90°
• β: 110.164 ± 0.005°
• γ: 90°
• Cell volume: 1535.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0882
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No