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Information card for entry 4349486
Preview
| Coordinates | 4349486.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C87 H84 N8 Na4 O4 |
|---|---|
| Calculated formula | C87 H84 N8 Na4 O4 |
| SMILES | [Na]1234[O]56[Na]78([O]9%10[Na]%11%12([O]1([Na]159[n]5c9c%10cccc9ccc5C=[N]1c1c(cccc1CC)CC)c1c5[n]3c(ccc5ccc1)C=[N]4c1c(CC)cccc1CC)[O]27c1c2[n]%11c(ccc2ccc1)C=[N]%12c1c(cccc1CC)CC)[n]1c(C=[N]8c2c(cccc2CC)CC)ccc2c1c6ccc2.c1c(cccc1)C |
| Title of publication | Sodium iminoquinolates with cubic and hexagonal prismatic motifs: synthesis, characterization and their catalytic behavior toward the ROP of rac-lactide |
| Authors of publication | Zhang, Qiurui; Zhang, Wenjuan; Wang, Shengdong; Solan, Gregory A.; Liang, Tongling; Rajendran, Natesan Mannangatti; Sun, Wen-Hua |
| Journal of publication | Inorganic Chemistry Frontiers |
| Year of publication | 2016 |
| Journal volume | 3 |
| Journal issue | 9 |
| Pages of publication | 1178 |
| a | 15.57 ± 0.003 Å |
| b | 17.11 ± 0.003 Å |
| c | 18.14 ± 0.004 Å |
| α | 93.88 ± 0.03° |
| β | 93.24 ± 0.03° |
| γ | 116.22 ± 0.03° |
| Cell volume | 4305.2 ± 1.9 Å3 |
| Cell temperature | 173.15 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1138 |
| Residual factor for significantly intense reflections | 0.0808 |
| Weighted residual factors for significantly intense reflections | 0.2112 |
| Weighted residual factors for all reflections included in the refinement | 0.2334 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0355 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4349486.cif |
| 234814 | 2019-11-23 | cif/ Adding structures of 4349485, 4349486, 4349487, 4349488, 4349489, 4349490 via cif-deposit CGI script. |
4349486.cif |
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Users of the data should acknowledge the original authors of the
structural data.