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Information card for entry 1517431
Preview
| Coordinates | 1517431.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C92 H134 Cl Li2 N2 Nd O11 |
|---|---|
| Calculated formula | C92 H134 Cl Li2 N2 Nd O11 |
| SMILES | [Nd]1234(Oc5c(cc(cc5C[N]53CCC[C@H]5C(O1)(c1ccccc1)c1ccccc1)C(C)(C)C)C(C)(C)C)Oc1c(cc(cc1C[N]14CCC[C@H]1C(O2)(c1ccccc1)c1ccccc1)C(C)(C)C)C(C)(C)C.[Cl]([Li]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1)[Li]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.O1CCCC1 |
| Title of publication | Asymmetric Epoxidation of Unsaturated Ketones Catalyzed by Heterobimetallic Rare Earth-Lithium Complexes Bearing Phenoxy-Functionalized Chiral Diphenylprolinolate Ligand. |
| Authors of publication | Qian, Qinqin; Tan, Yufang; Zhao, Bei; Feng, Tao; Shen, Qi; Yao, Yingming |
| Journal of publication | Organic letters |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 17 |
| Pages of publication | 4516 |
| a | 17.7338 ± 0.0013 Å |
| b | 17.7079 ± 0.0014 Å |
| c | 28.905 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9077 ± 1.2 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0697 |
| Residual factor for significantly intense reflections | 0.0626 |
| Weighted residual factors for significantly intense reflections | 0.1325 |
| Weighted residual factors for all reflections included in the refinement | 0.1393 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1517431.cif |
| 123147 | 2014-09-06 | cif/ Updating files of 1517428, 1517429, 1517430, 1517431 Original log message: Adding full bibliography for 1517428--1517431.cif. |
1517431.cif |
| 122460 | 2014-08-23 | cif/ Adding structures of 1517428, 1517429, 1517430, 1517431 via cif-deposit CGI script. |
1517431.cif |
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