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Information card for entry 7159002
Preview
| Coordinates | 7159002.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H16 N2 O3 |
|---|---|
| Calculated formula | C18 H16 N2 O3 |
| SMILES | O[C@@]1(c2c(N(C1=O)C)cccc2)[C@H]1C(=O)N(c2c1cccc2)C.O[C@]1(c2c(N(C1=O)C)cccc2)[C@@H]1C(=O)N(c2c1cccc2)C |
| Title of publication | Diastereoselective Reversible C-C Bond Exchange of Oxindole-Thiazolidinediones for Dynamic Combinatorial Chemistry |
| Authors of publication | Gorai, Ananta; Chakraborti, Gargi; Basak, Soumya Jyoti; Dash, Jyotirmayee |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2022 |
| a | 11.9951 ± 0.0003 Å |
| b | 8.5493 ± 0.0002 Å |
| c | 15.5588 ± 0.0004 Å |
| α | 90° |
| β | 109.035 ± 0.001° |
| γ | 90° |
| Cell volume | 1508.3 ± 0.07 Å3 |
| Cell temperature | 111 ± 2 K |
| Ambient diffraction temperature | 111 ± 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 | 0.0447 |
| Residual factor for significantly intense reflections | 0.0372 |
| Weighted residual factors for significantly intense reflections | 0.0881 |
| Weighted residual factors for all reflections included in the refinement | 0.0947 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279376 (current) | 2022-11-18 | cif/ Adding structures of 7159001, 7159002 via cif-deposit CGI script. |
7159002.cif |
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Users of the data should acknowledge the original authors of the
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