Information card for entry 4517142

Structure parameters

• Chemical name: '(E)-2-((4-(dipropylamino)phenyl)diazenyl)benzoic acid'
• Formula: C19 H23 N3 O2
• Calculated formula: C19 H23 N3 O2
• SMILES: c1(ccccc1/N=N/c1ccc(cc1)N(CCC)CCC)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: 10.214 ± 0.006 Å
• b: 13.482 ± 0.008 Å
• c: 12.661 ± 0.007 Å
• α: 90°
• β: 98.953 ± 0.001°
• γ: 90°
• Cell volume: 1722.2 ± 1.7 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.1487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No