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Information card for entry 7157281
Preview
| Coordinates | 7157281.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C88 H128 Cl2 Cu N8 O12 |
|---|---|
| Calculated formula | C88 H128 Cl2 Cu N8 O12 |
| Title of publication | Effect of n-alkyl substitution on Cu(ii)-selective chemosensing of rhodamine B derivatives. |
| Authors of publication | Mishra, Santosh Kumar; Dehuri, Suryakanta; Bag, Bamaprasad |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2020 |
| Journal volume | 18 |
| Journal issue | 2 |
| Pages of publication | 316 - 332 |
| a | 13.492 ± 0.002 Å |
| b | 22.47 ± 0.002 Å |
| c | 14.213 ± 0.001 Å |
| α | 90° |
| β | 99.15 ± 0.01° |
| γ | 90° |
| Cell volume | 4254.1 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0888 |
| Residual factor for significantly intense reflections | 0.0671 |
| Weighted residual factors for significantly intense reflections | 0.1766 |
| Weighted residual factors for all reflections included in the refinement | 0.1918 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7157281.cif |
| 247817 | 2020-02-04 | cif/ Updating files of 7157280, 7157281 Original log message: Adding full bibliography for 7157280--7157281.cif. |
7157281.cif |
| 246396 | 2020-01-01 | cif/ Adding structures of 7157280, 7157281 via cif-deposit CGI script. |
7157281.cif |
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Users of the data should acknowledge the original authors of the
structural data.