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Information card for entry 7240359
Preview
| Coordinates | 7240359.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C14 H12 N2 O2 |
|---|---|
| Calculated formula | C14 H12 N2 O2 |
| SMILES | Oc1c(cc(cc1/C=N/c1cccnc1)C)C=O |
| Title of publication | 4-Methyl-2,6-diformylphenol based biocompatible chemosensors for pH: discrimination between normal cells and cancer cells |
| Authors of publication | Dhawa, Tanumoy; Hazra, Ananta; Barma, Arpita; Pal, Kunal; Karmakar, Parimal; Roy, Partha |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 26 |
| Pages of publication | 15501 - 15513 |
| a | 29.004 ± 0.004 Å |
| b | 37.698 ± 0.006 Å |
| c | 4.4554 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4871.5 ± 1.3 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.1715 |
| Residual factor for significantly intense reflections | 0.0919 |
| Weighted residual factors for significantly intense reflections | 0.1377 |
| Weighted residual factors for all reflections included in the refinement | 0.1637 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.223 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7240359.cif |
| 258034 | 2020-10-06 | cif/ Updating files of 7240359, 7240360 Original log message: Adding full bibliography for 7240359--7240360.cif. |
7240359.cif |
| 250974 | 2020-04-21 | cif/ Adding structures of 7240359, 7240360 via cif-deposit CGI script. |
7240359.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.