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Information card for entry 1566928
Preview
| Coordinates | 1566928.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H13 K O3 S |
|---|---|
| Calculated formula | C12 H13 K O3 S |
| SMILES | [K+].O=C(c1c(C(=S)[O-])cccc1)OC(C)(C)C |
| Title of publication | Lithium achieves sequence selective ring-opening terpolymerisation (ROTERP) of ternary monomer mixtures |
| Authors of publication | Plajer, Alex Johannes; Pröhm, Patrick; Rupf, Susanne M. |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 15.1783 ± 0.0013 Å |
| b | 6.6961 ± 0.0006 Å |
| c | 30.176 ± 0.003 Å |
| α | 90° |
| β | 104.412 ± 0.003° |
| γ | 90° |
| Cell volume | 2970.4 ± 0.5 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.0832 |
| Residual factor for significantly intense reflections | 0.0821 |
| Weighted residual factors for significantly intense reflections | 0.2414 |
| Weighted residual factors for all reflections included in the refinement | 0.2426 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.147 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301209 (current) | 2025-07-10 | cif/1: Fixing Z values and formulae |
1566928.cif |
| 275083 | 2022-05-06 | cif/ Adding structures of 1566926, 1566927, 1566928 via cif-deposit CGI script. |
1566928.cif |
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Users of the data should acknowledge the original authors of the
structural data.