Information card for entry 4517140

Structure parameters

• Chemical name: '(E)-2-((4-(dimethylamino)phenyl)diazenyl)benzoic acid'
• Formula: C15 H15 N3 O2
• Calculated formula: C15 H15 N3 O2
• SMILES: c1(ccccc1/N=N/c1ccc(cc1)N(C)C)C(=O)O
• 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: 8.252 ± 0.005 Å
• b: 8.511 ± 0.005 Å
• c: 11.23 ± 0.007 Å
• α: 92.512 ± 0.004°
• β: 110.205 ± 0.008°
• γ: 113.719 ± 0.004°
• Cell volume: 662.1 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0598
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for all reflections included in the refinement: 0.1392
• 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: No