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Information card for entry 4517141
Preview
| Coordinates | 4517141.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | '(E)-2-((4-(diethylamino)phenyl)diazenyl)benzoic acid' |
|---|---|
| Formula | C17 H19 N3 O2 |
| Calculated formula | C17 H19 N3 O2 |
| SMILES | c1(ccccc1/N=N/c1ccc(cc1)N(CC)CC)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 | 10.529 ± 0.004 Å |
| b | 17.052 ± 0.006 Å |
| c | 8.348 ± 0.003 Å |
| α | 90° |
| β | 92.743 ± 0.004° |
| γ | 90° |
| Cell volume | 1497.1 ± 0.9 Å3 |
| 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 | 0.0644 |
| Residual factor for significantly intense reflections | 0.0536 |
| Weighted residual factors for all reflections included in the refinement | 0.1345 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4517141.cif |
| 243730 | 2019-11-26 | cif/ Adding structures of 4517140, 4517141, 4517142, 4517143, 4517144, 4517145 via cif-deposit CGI script. |
4517141.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.