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Information card for entry 1566927
Preview
| Coordinates | 1566927.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H13 Na O3 S |
|---|---|
| Calculated formula | C12 H13 Na O3 S |
| SMILES | S=C([O-])c1c(C(=O)OC(C)(C)C)cccc1.[Na+] |
| 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 | 5.9833 ± 0.0006 Å |
| b | 9.3642 ± 0.001 Å |
| c | 11.7461 ± 0.0012 Å |
| α | 90.127 ± 0.004° |
| β | 101.89 ± 0.004° |
| γ | 97.726 ± 0.004° |
| Cell volume | 637.85 ± 0.11 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0598 |
| Residual factor for significantly intense reflections | 0.0533 |
| Weighted residual factors for significantly intense reflections | 0.1478 |
| Weighted residual factors for all reflections included in the refinement | 0.1521 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275083 (current) | 2022-05-06 | cif/ Adding structures of 1566926, 1566927, 1566928 via cif-deposit CGI script. |
1566927.cif |
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Users of the data should acknowledge the original authors of the
structural data.