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Information card for entry 7245030
Preview
| Coordinates | 7245030.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H20 N2 O3 |
|---|---|
| Calculated formula | C18 H20 N2 O3 |
| SMILES | O=C(NC(C(=O)OC)(C)C)c1c(Nc2ccccc2)cccc1 |
| Title of publication | A γ-turn mimetic for selective sensing of Cu(ii) and a combinatorial multiple logic gate |
| Authors of publication | Chowdhury, Srayoshi Roy; Haldar, Debasish |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 16.8282 ± 0.0006 Å |
| b | 10.4619 ± 0.0004 Å |
| c | 9.5748 ± 0.0004 Å |
| α | 90° |
| β | 100.788 ± 0.004° |
| γ | 90° |
| Cell volume | 1655.9 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0528 |
| Residual factor for significantly intense reflections | 0.0443 |
| Weighted residual factors for significantly intense reflections | 0.1071 |
| Weighted residual factors for all reflections included in the refinement | 0.1128 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275842 (current) | 2022-06-07 | cif/ Adding structures of 7245030 via cif-deposit CGI script. |
7245030.cif |
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Users of the data should acknowledge the original authors of the
structural data.