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Information card for entry 1512021
Preview
| Coordinates | 1512021.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H128 N6 O4 Si4 Tm2 |
|---|---|
| Calculated formula | C76 H128 N6 O4 Si4 Tm2 |
| SMILES | C([Si](C)(C)C)[Tm]1234[N]5[C@H](COC=5c5ccccc5N1c1ccccc1C(C[Si](C)(C)C)=[N]2[C@H](C[O]3[Tm]123(C[Si](C)(C)C)[N]5[C@H](COC=5c5ccccc5N1c1ccccc1C(C[Si](C)(C)C)=[N]2[C@H](C[O]43)C(C)C)C(C)C)C(C)C)C(C)C.CCCCCC.CCCCCC |
| Title of publication | Quasi-Living trans-1,4-Polymerization of Isoprene by Cationic Rare Earth Metal Alkyl Species Bearing a Chiral (S,S)-Bis(oxazolinylphenyl)amido Ligand |
| Authors of publication | Liu, Hui; He, Jianyun; Liu, Zhanxiong; Lin, Zhengguo; Du, Gaixia; Zhang, Shaowen; Li, Xiaofang |
| Journal of publication | Macromolecules |
| Year of publication | 2013 |
| Journal volume | 46 |
| Journal issue | 9 |
| Pages of publication | 3257 |
| a | 13.834 ± 0.002 Å |
| b | 15.388 ± 0.002 Å |
| c | 39.08 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8319.3 ± 1.9 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1066 |
| Residual factor for significantly intense reflections | 0.0606 |
| Weighted residual factors for significantly intense reflections | 0.1224 |
| Weighted residual factors for all reflections included in the refinement | 0.1598 |
| 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 |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
1512021.cif |
| 91929 | 2013-12-27 | cif/1/51/ (saulius@koala.ibt.lt) Fixing publication title in '20/1512020.cif', '20/1512021.cif' and '20/1512022.cif'. |
1512021.cif |
| 87170 | 2013-07-14 | cif/ Adding structures of 1512020, 1512021, 1512022 via cif-deposit CGI script. |
1512021.cif |
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