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Information card for entry 2206917
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| Coordinates | 2206917.cif |
|---|---|
| Structure factors | 2206917.hkl |
| Original IUCr paper | HTML |
| Formula | C21 H20 N2 O4 |
|---|---|
| Calculated formula | C21 H20 N2 O4 |
| SMILES | C(Cc1ccncc1)Cc1ccncc1.OC(=O)c1ccc(cc1)C(=O)O |
| Title of publication | Terephthalic acid–1,3-di-4-pyridylpropane (1/1) |
| Authors of publication | Dai, Yu-Mei; Shen, Hui-Ying; Huang, Jin-Feng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 10 |
| Pages of publication | o3410 - o3411 |
| a | 23.27 ± 0.002 Å |
| b | 4.7 ± 0.0002 Å |
| c | 18.96 ± 0.0019 Å |
| α | 90° |
| β | 119.44 ± 0.003° |
| γ | 90° |
| Cell volume | 1805.9 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for significantly intense reflections | 0.0427 |
| Weighted residual factors for significantly intense reflections | 0.1137 |
| Weighted residual factors for all reflections included in the refinement | 0.1196 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|
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Users of the data should acknowledge the original authors of the
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