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Information card for entry 1566951
Preview
| Coordinates | 1566951.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H40 N4 Zn2 |
|---|---|
| Calculated formula | C38 H40 N4 Zn2 |
| SMILES | C1(=[N]2[Zn](N(C(=C1)C)c1ccc(cc1)Cc1ccc([N]3=C(C=C(C)N([Zn]3C)c3ccc(cc3)Cc3ccc2cc3)C)cc1)C)C |
| Title of publication | A sustainable approach for the synthesis of recyclable cyclic CO2-based polycarbonates |
| Authors of publication | Liao, Xi; Cui, Feng-Chao; He, Jiang-Hua; Ren, Wei-Min; Lu, Xiao-Bing; Zhang, Yue-Tao |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 10.9337 ± 0.0004 Å |
| b | 16.6716 ± 0.0007 Å |
| c | 9.6093 ± 0.0004 Å |
| α | 90° |
| β | 98.976 ± 0.001° |
| γ | 90° |
| Cell volume | 1730.15 ± 0.12 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 | 0.0482 |
| Residual factor for significantly intense reflections | 0.0435 |
| Weighted residual factors for significantly intense reflections | 0.1072 |
| Weighted residual factors for all reflections included in the refinement | 0.1095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275344 (current) | 2022-05-12 | cif/ Adding structures of 1566951 via cif-deposit CGI script. |
1566951.cif |
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Users of the data should acknowledge the original authors of the
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