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Information card for entry 1549212
Preview
| Coordinates | 1549212.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H33 N O3 |
|---|---|
| Calculated formula | C25 H33 N O3 |
| SMILES | o1c(CN(Cc2occc2)Cc2c(O)c(C(C)(C)C)cc(C(C)(C)C)c2)ccc1 |
| Title of publication | Synthesis and characterization of neutral and cationic aluminum complexes supported by a furfuryl-containing aminophenolate ligand for ring-opening polymerization of ε-caprolactone |
| Authors of publication | Kiriratnikom, Jiraya; Chotchatchawankul, Sucheewin; Haesuwannakij, Setsiri; Kiatisevi, Supavadee; Phomphrai, Khamphee |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2018 |
| Journal volume | 42 |
| Journal issue | 11 |
| Pages of publication | 8374 |
| a | 18.3409 ± 0.0019 Å |
| b | 6.4457 ± 0.0006 Å |
| c | 38.253 ± 0.003 Å |
| α | 90° |
| β | 95.468 ± 0.007° |
| γ | 90° |
| Cell volume | 4501.7 ± 0.7 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0847 |
| Residual factor for significantly intense reflections | 0.0785 |
| Weighted residual factors for significantly intense reflections | 0.1605 |
| Weighted residual factors for all reflections included in the refinement | 0.1634 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1549212.cif |
| 230534 | 2019-11-17 | cif/ Updating files of 1549211, 1549212, 1549213, 1549214 Original log message: Adding full bibliography for 1549211--1549214.cif. |
1549212.cif |
| 207242 | 2018-04-05 | cif/ Adding structures of 1549211, 1549212, 1549213, 1549214 via cif-deposit CGI script. |
1549212.cif |
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Users of the data should acknowledge the original authors of the
structural data.