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Information card for entry 7226180
Preview
| Coordinates | 7226180.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H14 O3 S |
|---|---|
| Calculated formula | C11 H14 O3 S |
| SMILES | S1[C@@]2(O[C@H](C(=O)O[C@H]2C)C)[C@@H]2C=C[C@H]1C2 |
| 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 | 7.7606 ± 0.0005 Å |
| b | 10.8844 ± 0.0008 Å |
| c | 12.686 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1071.58 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0349 |
| Residual factor for significantly intense reflections | 0.0312 |
| Weighted residual factors for significantly intense reflections | 0.0752 |
| Weighted residual factors for all reflections included in the refinement | 0.0766 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| 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. |
7226180.cif |
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Users of the data should acknowledge the original authors of the
structural data.