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Information card for entry 4349589
Preview
| Coordinates | 4349589.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H39 K O8 |
|---|---|
| Calculated formula | C33 H39 K O8 |
| SMILES | [K]12345(Oc6ccc7ccccc7c6c6c7ccccc7ccc6OC)[O]7CC[O]5CC[O]4CC[O]3CC[O]2CC[O]1CC7 |
| Title of publication | Isoselective mechanism of the ring-opening polymerization of rac-lactide catalyzed by chiral potassium binolates |
| Authors of publication | Cui, Yaqin; Chen, Changjuan; Sun, Yangyang; Wu, Jincai; Pan, Xiaobo |
| Journal of publication | Inorganic Chemistry Frontiers |
| Year of publication | 2017 |
| Journal volume | 4 |
| Journal issue | 2 |
| Pages of publication | 261 |
| a | 10.9339 ± 0.0011 Å |
| b | 11.3695 ± 0.0012 Å |
| c | 14.208 ± 0.002 Å |
| α | 107.602 ± 0.002° |
| β | 96.818 ± 0.002° |
| γ | 109.876 ± 0.002° |
| Cell volume | 1534.1 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0683 |
| Residual factor for significantly intense reflections | 0.0492 |
| Weighted residual factors for significantly intense reflections | 0.1196 |
| Weighted residual factors for all reflections included in the refinement | 0.1447 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251896 (current) | 2020-05-08 | cif/4 Fixing Z values and formulae |
4349589.cif |
| 234901 | 2019-11-23 | cif/ Adding structures of 4349588, 4349589 via cif-deposit CGI script. |
4349589.cif |
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Users of the data should acknowledge the original authors of the
structural data.