Information card for entry 7203600

Structure parameters

• Formula: C30 H28 N2 O4
• Calculated formula: C30 H28 N2 O4
• SMILES: O(c1ccc(c(/C=C/c2cc(c3cc(ccn3)/C=C/c3cc(OC)ccc3OC)ncc2)c1)OC)C
• Title of publication: Efficient blue light-emitting diodes based on a classical ?push?pull? architecture molecule 4,4?-di-(2-(2,5-dimethoxyphenyl)ethenyl)-2,2?-bipyridine
• Authors of publication: Berner, D.; Klein, C.; Nazeeruddin, Md. K.; De Angelis, Filippo; Castellani, M.; Bugnon, Ph.; Scopelliti, R.; Zuppiroli, L.; Graetzel, M.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2006
• Journal volume: 16
• Journal issue: 46
• Pages of publication: 4468
• a: 7.667 ± 0.0008 Å
• b: 13.7182 ± 0.0013 Å
• c: 11.7334 ± 0.0008 Å
• α: 90°
• β: 99.379 ± 0.007°
• γ: 90°
• Cell volume: 1217.59 ± 0.19 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 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: 0.0873
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 0.865
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No