Information card for entry 4517143

Structure parameters

• Chemical name: '(E)-4-((4-(dimethylamino)phenyl)diazenyl)benzoic acid pyridine solvate'
• Formula: C20 H20 N4 O2
• Calculated formula: C20 H20 N4 O2
• SMILES: c1cc(ccc1/N=N/c1ccc(cc1)N(C)C)C(=O)O.c1ccccn1
• Title of publication: Relating Electron Donor and Carboxylic Acid Anchoring Substitution Effects in Azo Dyes to Dye-Sensitized Solar Cell Performance
• Authors of publication: Zhang, Lei; Cole, Jacqueline M.; Waddell, Paul G.; Low, Kian S.; Liu, Xiaogang
• Journal of publication: ACS Sustainable Chemistry & Engineering
• Year of publication: 2013
• Journal volume: 1
• Journal issue: 11
• Pages of publication: 1440
• a: 16.072 ± 0.004 Å
• b: 7.325 ± 0.0019 Å
• c: 14.97 ± 0.004 Å
• α: 90°
• β: 91.207 ± 0.004°
• γ: 90°
• Cell volume: 1762 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.1586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No