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Information card for entry 4516500
Preview
| Coordinates | 4516500.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C6 H4 Li2 O4 |
|---|---|
| Calculated formula | C6 H4 Li2 O4 |
| SMILES | C(=O)(/C=C/C=C/C(=O)[O-])[O-].[Li+].[Li+] |
| Title of publication | Solid State Packing and Photoreactivity of Alkali Metal Salts oftrans,trans-Muconate |
| Authors of publication | Kole, Goutam Kumar; Chanthapally, Anjana; Tan, Geok Kheng; Vittal, Jagadese J. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 11 |
| Pages of publication | 5555 |
| a | 7.763 ± 0.001 Å |
| b | 5.0161 ± 0.0006 Å |
| c | 8.7526 ± 0.0011 Å |
| α | 90° |
| β | 115.232 ± 0.003° |
| γ | 90° |
| Cell volume | 308.31 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0439 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.1045 |
| Weighted residual factors for all reflections included in the refinement | 0.1094 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| 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. |
4516500.cif |
| 231346 | 2019-11-22 | cif/ Adding structures of 4516500 via cif-deposit CGI script. |
4516500.cif |
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Users of the data should acknowledge the original authors of the
structural data.