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Information card for entry 4515222
Preview
| Coordinates | 4515222.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C68 H67 N8 O6 |
|---|---|
| Calculated formula | C68 H67 N8 O6 |
| Title of publication | Sensitive and Selective in Vitro Recognition of Biologically Toxic As(III) by Rhodamine Based Chemoreceptor |
| Authors of publication | Paul, Suparna; Bhuyan, Samuzal; Mukhopadhyay, Subhra Kanti; Murmu, Naresh Chandra; Banerjee, Priyabrata |
| Journal of publication | ACS Sustainable Chemistry & Engineering |
| Year of publication | 2019 |
| Journal volume | 7 |
| Journal issue | 16 |
| Pages of publication | 13687 |
| a | 9.1158 ± 0.0005 Å |
| b | 32.969 ± 0.002 Å |
| c | 19.0369 ± 0.0011 Å |
| α | 90° |
| β | 98.12 ± 0.002° |
| γ | 90° |
| Cell volume | 5664 ± 0.6 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110.48 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 | 0.1123 |
| Residual factor for significantly intense reflections | 0.0597 |
| Weighted residual factors for significantly intense reflections | 0.1411 |
| Weighted residual factors for all reflections included in the refinement | 0.1759 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 220322 (current) | 2019-10-29 | cif/ Adding structures of 4515222 via cif-deposit CGI script. |
4515222.cif |
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Users of the data should acknowledge the original authors of the
structural data.