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Information card for entry 4316781
Preview
| Coordinates | 4316781.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H61 Na O4 |
|---|---|
| Calculated formula | C54 H61 Na O4 |
| SMILES | [Na]12([OH]c3cc(cc(c3C[O]1Cc1cc(cc(c1O2)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1)[O]1CCCC1 |
| Title of publication | Synthesis and Structural Studies of Lithium and Sodium Complexes with OOO-Tridentate Bis(phenolate) Ligands: Effective Catalysts for the Ring-Opening Polymerization of l-Lactide |
| Authors of publication | Yong Huang; Yueh-Hsuan Tsai; Wen-Chou Hung; Chieh-Shen Lin; Wei Wang; Jui-Hsien Huang; Saikat Dutta; Chu-Chieh Lin |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 9416 - 9425 |
| a | 12.7587 ± 0.0012 Å |
| b | 16.6797 ± 0.0014 Å |
| c | 22.181 ± 0.002 Å |
| α | 90° |
| β | 93.089 ± 0.002° |
| γ | 90° |
| Cell volume | 4713.5 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1791 |
| Residual factor for significantly intense reflections | 0.0648 |
| Weighted residual factors for significantly intense reflections | 0.1578 |
| Weighted residual factors for all reflections included in the refinement | 0.1943 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179247 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/67. |
4316781.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4316781.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4316781.cif |
| 10287 | 2011-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4316781 via cif-deposit CGI script. |
4316781.cif |
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