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Information card for entry 7242620
Preview
| Coordinates | 7242620.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H31 N O |
|---|---|
| Calculated formula | C28 H31 N O |
| SMILES | O[C@]1(c2c(c3c(cccc3)[C@@]31Nc1c(cccc1CC)[C@@H]3C)cccc2)CCCC.O[C@@]1(c2c(c3c(cccc3)[C@]31Nc1c(cccc1CC)[C@H]3C)cccc2)CCCC |
| Title of publication | Bimetallic aluminum complexes bearing novel spiro-phenanthrene-monoketone/OH derivatives: synthesis, characterization and the ring-opening polymerization of ε-caprolactone |
| Authors of publication | Yue, Erlin; Cao, Furong; Zhang, Jun; Zhang, Wenjuan; Jiang, Youshu; Liang, Tongling; Sun, Wen-Hua |
| Journal of publication | RSC Advances |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 22 |
| Pages of publication | 13274 - 13281 |
| a | 12.267 ± 0.003 Å |
| b | 20.24 ± 0.004 Å |
| c | 9.2785 ± 0.0019 Å |
| α | 90° |
| β | 109.14 ± 0.03° |
| γ | 90° |
| Cell volume | 2176.4 ± 0.9 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.1278 |
| Residual factor for significantly intense reflections | 0.105 |
| Weighted residual factors for significantly intense reflections | 0.1718 |
| Weighted residual factors for all reflections included in the refinement | 0.1835 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7242620.cif |
| 263998 | 2021-04-09 | cif/ Adding structures of 7242620, 7242621, 7242622, 7242623 via cif-deposit CGI script. |
7242620.cif |
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Users of the data should acknowledge the original authors of the
structural data.