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Information card for entry 7059787
Preview
| Coordinates | 7059787.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H18 N2 O7 |
|---|---|
| Calculated formula | C18 H18 N2 O7 |
| SMILES | Oc1ccc2ccccc2c1/C=N/NC(=O)c1cc(O)c(O)c(O)c1.O.O |
| Title of publication | Amide–imine conjugate involving gallic acid and naphthalene for nano-molar detection, enrichment and cancer cell imaging of La3+: studies on the catalytic activity of the La3+ complex |
| Authors of publication | Shaikh, Ahad; Ghosh, Milan; Mukherjee, Pallabi; Ghosh, Avijit; Molla, Rostam Ali; Ta, Sabyasachi; Das, Debasis |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2020 |
| Journal volume | 44 |
| Journal issue | 31 |
| Pages of publication | 13501 - 13506 |
| a | 9.1843 ± 0.0005 Å |
| b | 14.6445 ± 0.0008 Å |
| c | 12.5246 ± 0.0007 Å |
| α | 90° |
| β | 102.665 ± 0.002° |
| γ | 90° |
| Cell volume | 1643.56 ± 0.16 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0773 |
| Residual factor for significantly intense reflections | 0.0444 |
| Weighted residual factors for significantly intense reflections | 0.0967 |
| Weighted residual factors for all reflections included in the refinement | 0.1126 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7059787.cif |
| 257836 | 2020-10-06 | cif/ Updating files of 7059787 Original log message: Adding full bibliography for 7059787.cif. |
7059787.cif |
| 256146 | 2020-09-06 | cif/ Updating files of 7059787 Original log message: Adding full bibliography for 7059787.cif. |
7059787.cif |
| 254331 | 2020-07-16 | cif/ Adding structures of 7059787 via cif-deposit CGI script. |
7059787.cif |
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Users of the data should acknowledge the original authors of the
structural data.