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Information card for entry 1552822
Preview
| Coordinates | 1552822.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C178 H264 Cl8 O26 Y4 |
|---|---|
| Calculated formula | C178 H264 Cl8 O26 Y4 |
| SMILES | c12c(cc(cc1C(=[O][Y]1345(O2)(Oc2c(cc(cc2C2=[O]3[Y]367([OH]4[Y]489%10([OH]5[Y]5%11([OH]79)(Oc7c(cc(cc7C(c7cc(cc(c7O)C(C)(C)C)C(C)(C)C)=[O]5)C(C)(C)C)C(C)(C)C)(Oc5c(cc(cc5C(=[O]%10%11)c5c(O8)c(cc(c5)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)([OH]16)[OH2])(Oc1c(cc(cc1C(c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)=[O]4)C(C)(C)C)C(C)(C)C)[OH2])(Oc1c(cc(cc1C(c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)=[O]3)C(C)(C)C)C(C)(C)C)(Oc1c(cc(cc21)C(C)(C)C)C(C)(C)C)[OH2])C(C)(C)C)C(C)(C)C)[OH2])c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C.C(Cl)Cl.ClCCl.C(Cl)Cl.C(Cl)Cl |
| Title of publication | ppm-Level Thermally Switchable Yttrium Phenoxide Catalysts for Moisture-Insensitive and Controllably Immortal Polymerization of rac-Lactide |
| Authors of publication | Chen, Changjuan; Bai, Zhiyong; Cui, Yaqin; Cong, Yong; Pan, Xiaobo; Wu, Jincai |
| Journal of publication | Macromolecules |
| Year of publication | 2018 |
| Journal volume | 51 |
| Journal issue | 17 |
| Pages of publication | 6800 |
| a | 25.8909 ± 0.0004 Å |
| b | 25.8909 ± 0.0004 Å |
| c | 59.13 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 39637 ± 3 Å3 |
| Cell temperature | 173.01 ± 0.1 K |
| Ambient diffraction temperature | 173.01 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 120 |
| Hermann-Mauguin space group symbol | I -4 c 2 |
| Hall space group symbol | I -4 -2c |
| Residual factor for all reflections | 0.0859 |
| Residual factor for significantly intense reflections | 0.0539 |
| Weighted residual factors for significantly intense reflections | 0.1214 |
| Weighted residual factors for all reflections included in the refinement | 0.1419 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 227459 (current) | 2019-11-12 | cif/ Adding structures of 1552822 via cif-deposit CGI script. |
1552822.cif |
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