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Information card for entry 7226181
Preview
| Coordinates | 7226181.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H8 O2 S2 |
|---|---|
| Calculated formula | C6 H8 O2 S2 |
| SMILES | S=C1O[C@@H](C(=S)O[C@@H]1C)C.S=C1O[C@H](C(=S)O[C@H]1C)C |
| Title of publication | A Pb2±binding polychelatogen derived from thionated lactide |
| Authors of publication | Mangalum, A.; Boadi, F.; Masand, S. A.; Lalancette, R. A.; Pietrangelo, A. |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| Journal volume | 6 |
| Journal issue | 78 |
| Pages of publication | 74250 |
| a | 12.8947 ± 0.0002 Å |
| b | 8.5141 ± 0.0001 Å |
| c | 7.3227 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 803.936 ± 0.019 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0194 |
| Residual factor for significantly intense reflections | 0.0194 |
| Weighted residual factors for significantly intense reflections | 0.0515 |
| Weighted residual factors for all reflections included in the refinement | 0.0515 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.153 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 185053 (current) | 2016-08-06 | cif/ Adding structures of 7226179, 7226180, 7226181 via cif-deposit CGI script. |
7226181.cif |
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Users of the data should acknowledge the original authors of the
structural data.