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Information card for entry 1518191
Preview
| Coordinates | 1518191.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C75 H105 K O8 |
|---|---|
| Calculated formula | C75 H105 K O8 |
| SMILES | [K]12345([O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)Oc1c(C2(c3c(Oc4c2cc(cc4C(C)(C)C)C(C)(C)C)c(cc(c3)C(C)(C)C)C(C)(C)C)c2ccccc2)cc(cc1C(C)(C)C)C(C)(C)C.Cc1ccccc1.Cc1ccccc1 |
| Title of publication | Highly Iso-Selective and Active Catalysts of Sodium and Potassium Monophenoxides Capped by a Crown Ether for the Ring-Opening Polymerization ofrac-Lactide |
| Authors of publication | Zhang, Jinjin; Xiong, Jiao; Sun, Yangyang; Tang, Ning; Wu, Jincai |
| Journal of publication | Macromolecules |
| Year of publication | 2014 |
| Journal volume | 47 |
| Journal issue | 22 |
| Pages of publication | 7789 |
| a | 13.627 ± 0.0006 Å |
| b | 20.5145 ± 0.0007 Å |
| c | 13.926 ± 0.0006 Å |
| α | 90° |
| β | 116.816 ± 0.006° |
| γ | 90° |
| Cell volume | 3474.4 ± 0.3 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.084 |
| Residual factor for significantly intense reflections | 0.0599 |
| Weighted residual factors for significantly intense reflections | 0.1216 |
| Weighted residual factors for all reflections included in the refinement | 0.1418 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| 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. |
1518191.cif |
| 131417 | 2015-02-07 | cif/ Updating files of 1518189, 1518190, 1518191, 1518192 Original log message: Adding full bibliography for 1518189--1518192.cif. |
1518191.cif |
| 126268 | 2014-11-05 | cif/ Adding structures of 1518189, 1518190, 1518191, 1518192 via cif-deposit CGI script. |
1518191.cif |
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Users of the data should acknowledge the original authors of the
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