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Information card for entry 7132158
Preview
| Coordinates | 7132158.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H35 Cl3 N4 O S |
|---|---|
| Calculated formula | C32 H35 Cl3 N4 O S |
| SMILES | S=C(N[C@@H]1[C@@H](N(C)C)CCCC1)Nc1c(c2c(NC(=O)C)ccc3c2cccc3)c2c(cccc2)cc1.ClC(Cl)Cl |
| Title of publication | Bifunctional Thiourea-Based Organocatalysts Promoted Kinetic Resolution Polymerization of Racemic Lactide to Isotactic Polylactide |
| Authors of publication | Dai, Jiang; Xiong, Wei; Li, Dong-Yu; Cai, Zhongzheng; Zhu, Jian-Bo |
| Journal of publication | Chemical Communications |
| Year of publication | 2023 |
| a | 10.4638 ± 0.001 Å |
| b | 13.6095 ± 0.001 Å |
| c | 11.5026 ± 0.001 Å |
| α | 90° |
| β | 102.123 ± 0.004° |
| γ | 90° |
| Cell volume | 1601.5 ± 0.2 Å3 |
| Cell temperature | 290 ± 2 K |
| Ambient diffraction temperature | 290 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0842 |
| Residual factor for significantly intense reflections | 0.0529 |
| Weighted residual factors for significantly intense reflections | 0.1186 |
| Weighted residual factors for all reflections included in the refinement | 0.1383 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286589 (current) | 2023-09-29 | cif/ Adding structures of 7132158 via cif-deposit CGI script. |
7132158.cif |
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