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Information card for entry 4509188
Preview
| Coordinates | 4509188.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C17 H20 N2 O3 |
|---|---|
| Calculated formula | C17 H20 N2 O3 |
| SMILES | CN(C)c1ccc(cc1)/C=C/c1cc[n+](cc1)CC(=O)[O-].O |
| Title of publication | Design and Synthesis of Two New Two-Photon Absorbing Pyridine Salts as Ligands and Their Rare Earth Complexes |
| Authors of publication | Tian, Yu-Peng; Li, Lin; Zhou, Yong-Hong; Wang, Peng; Zhou, Hong-Ping; Wu, Jie-Ying; Hu, Zhang-Jun; Yang, Jia-Xiang; Kong, Lin; Xu, Gui-Bao; Tao, Xu-Tang; Jiang, Min-Hua |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2009 |
| Journal volume | 9 |
| Journal issue | 3 |
| Pages of publication | 1499 |
| a | 5.878 ± 0.0006 Å |
| b | 8.4735 ± 0.0012 Å |
| c | 15.5832 ± 0.0016 Å |
| α | 90° |
| β | 91.907 ± 0.007° |
| γ | 90° |
| Cell volume | 775.73 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1119 |
| Residual factor for significantly intense reflections | 0.0522 |
| Weighted residual factors for significantly intense reflections | 0.1285 |
| Weighted residual factors for all reflections included in the refinement | 0.1572 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.955 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301842 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure. |
4509188.cif |
| 179627 | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/91. |
4509188.cif |
| 97162 | 2014-01-29 | cif/ Adding structures of 4509188, 4509189, 4509190, 4509191, 4509192, 4509193, 4509194, 4509195, 4509196, 4509197, 4509198, 4509199, 4509200, 4509201, 4509202, 4509203 via cif-deposit CGI script. |
4509188.cif |
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Users of the data should acknowledge the original authors of the
structural data.