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Information card for entry 7223766
Preview
| Coordinates | 7223766.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 1-Hyrdoxy-4-nitiroanthraquinone |
|---|---|
| Formula | C14 H7 N O5 |
| Calculated formula | C14 H7 N O5 |
| SMILES | O=N(=O)c1c2C(=O)c3c(C(=O)c2c(O)cc1)cccc3 |
| Title of publication | Coordination environments and π-conjugation in dense lithium coordination polymers |
| Authors of publication | Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K. |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 3 |
| Pages of publication | 398 |
| a | 7.3423 ± 0.0002 Å |
| b | 10.0879 ± 0.0002 Å |
| c | 14.4961 ± 0.0003 Å |
| α | 90° |
| β | 89.137 ± 0.002° |
| γ | 90° |
| Cell volume | 1073.58 ± 0.04 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 293.15 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 | 0.0478 |
| Residual factor for significantly intense reflections | 0.0448 |
| Weighted residual factors for significantly intense reflections | 0.1334 |
| Weighted residual factors for all reflections included in the refinement | 0.1398 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7223766.cif |
| 173634 | 2016-01-07 | cif/ Adding structures of 7223753, 7223754, 7223755, 7223756, 7223757, 7223758, 7223759, 7223760, 7223761, 7223762, 7223763, 7223764, 7223765, 7223766, 7223767, 7223768, 7223769 via cif-deposit CGI script. |
7223766.cif |
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Users of the data should acknowledge the original authors of the
structural data.