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Information card for entry 1559355
Preview
| Coordinates | 1559355.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H32 N16 O20 S2 |
|---|---|
| Calculated formula | C30 H32 N16 O20 S2 |
| Title of publication | A Urea-Functionalized Chemoreceptor for Expeditious Chromogenic Recognition of Toxic Industrial Pollutants Cu2+ and CN‒ from Real Water Sources and Biofluids: Diagnosis of Wilson’s disease from Human Urine |
| Authors of publication | Paul, Suparna; Das, Riyanka; Seth, Madhupa; Hirani, Harish; Murmu, Naresh Chandra; Banerjee, Priyabrata |
| Journal of publication | Industrial & Engineering Chemistry Research |
| Year of publication | 2020 |
| a | 21.4965 ± 0.0013 Å |
| b | 8.105 ± 0.0004 Å |
| c | 24.4598 ± 0.0014 Å |
| α | 90° |
| β | 107.47 ± 0.002° |
| γ | 90° |
| Cell volume | 4065 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 99.69 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0709 |
| Residual factor for significantly intense reflections | 0.0535 |
| Weighted residual factors for significantly intense reflections | 0.1249 |
| Weighted residual factors for all reflections included in the refinement | 0.1394 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 258387 (current) | 2020-10-15 | cif/ Adding structures of 1559355 via cif-deposit CGI script. |
1559355.cif |
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Users of the data should acknowledge the original authors of the
structural data.