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Information card for entry 1517211
Preview
| Coordinates | 1517211.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H50 F6 N4 O4 Zn2 |
|---|---|
| Calculated formula | C46 H50 F6 N4 O4 Zn2 |
| SMILES | [Zn]12([O]=C(O[Zn]3([O]1C(=O)C)N(C(=CC(=[N]3c1c(cccc1C)C)C)C(F)(F)F)[C@H](c1ccccc1)C)C)N(C(=CC(=[N]2c1c(cccc1C)C)C)C(F)(F)F)[C@H](c1ccccc1)C |
| Title of publication | Copolymerization of CO2and meso epoxides using enantioselective β-diiminate catalysts: a route to highly isotactic polycarbonates |
| Authors of publication | Ellis, W. Chadwick; Jung, Yukyung; Mulzer, Michael; Di Girolamo, Rocco; Lobkovsky, Emil B.; Coates, Geoffrey W. |
| Journal of publication | Chemical Science |
| Year of publication | 2014 |
| Journal volume | 5 |
| Journal issue | 10 |
| Pages of publication | 4004 |
| a | 11.8212 ± 0.0009 Å |
| b | 10.6057 ± 0.0008 Å |
| c | 18.6077 ± 0.0017 Å |
| α | 90° |
| β | 97.779 ± 0.004° |
| γ | 90° |
| Cell volume | 2311.4 ± 0.3 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 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 | 0.0733 |
| Residual factor for significantly intense reflections | 0.0438 |
| Weighted residual factors for significantly intense reflections | 0.0738 |
| Weighted residual factors for all reflections included in the refinement | 0.0841 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.984 |
| Diffraction radiation wavelength | 0.71073 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. |
1517211.cif |
| 123371 | 2014-09-08 | cif/ Updating files of 1517209, 1517210, 1517211, 1517212 Original log message: Adding full bibliography for 1517209--1517212.cif. |
1517211.cif |
| 120722 | 2014-07-24 | cif/ Adding structures of 1517209, 1517210, 1517211, 1517212 via cif-deposit CGI script. |
1517211.cif |
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Users of the data should acknowledge the original authors of the
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