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Information card for entry 1558963
Preview
| Coordinates | 1558963.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | MePhImCH(CHCH2)PhIm |
|---|---|
| Formula | C20 H14 N2 O4 |
| Calculated formula | C20 H14 N2 O4 |
| SMILES | O=C1N(C(=O)c2ccccc12)[C@H](c1cc2C(=O)N(C(=O)c2cc1)C)C=C |
| Title of publication | Synthesis of an optically active polymer containing a planar phthalimide backbone by asymmetric polymerization |
| Authors of publication | Kanbayashi, Naoya; Saegusa, Marina; Ishido, Yuki; Okamura, Taka-aki; Onitsuka, Kiyotaka |
| Journal of publication | Polymer Chemistry |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 39 |
| Pages of publication | 6241 - 6250 |
| a | 7.6121 ± 0.0006 Å |
| b | 27.2894 ± 0.0018 Å |
| c | 8.5005 ± 0.0005 Å |
| α | 90° |
| β | 107.255 ± 0.008° |
| γ | 90° |
| Cell volume | 1686.3 ± 0.2 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.108 |
| Residual factor for significantly intense reflections | 0.0567 |
| Weighted residual factors for significantly intense reflections | 0.0958 |
| Weighted residual factors for all reflections included in the refinement | 0.111 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1558963.cif |
| 258991 | 2020-11-06 | cif/ Updating files of 1558963 Original log message: Adding full bibliography for 1558963.cif. |
1558963.cif |
| 255821 | 2020-09-03 | cif/ Adding structures of 1558963 via cif-deposit CGI script. |
1558963.cif |
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Users of the data should acknowledge the original authors of the
structural data.