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Information card for entry 1519497
Preview
| Coordinates | 1519497.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | HABIB-L |
|---|---|
| Formula | C46 H58 N4 O3 |
| Calculated formula | C46 H58 N4 O3 |
| SMILES | C(N(c1ccc2C3(N(CCN4COc5c(C(C)(C)C)cc(cc5C4)C(C)(C)C)C(=O)c4c3cccc4)c3c(Oc2c1)cc(N(CC)CC)cc3)CC)C |
| Title of publication | A novel rhodamine-3,4-dihydro-2H-1,3-benzoxazine conjugate as a highly sensitive and selective chemosensor for Fe3+ions with cytoplasmic cell imaging possibilities |
| Authors of publication | Molla, Habib Ali; Bhowmick, Rahul; Katarkar, Atul; Chaudhuri, Keya; Gangopadhyay, Sumana; Ali, Mahammad |
| Journal of publication | Anal. Methods |
| Year of publication | 2015 |
| Journal volume | 7 |
| Journal issue | 12 |
| Pages of publication | 5149 |
| a | 17.313 ± 0.003 Å |
| b | 24.678 ± 0.004 Å |
| c | 9.5642 ± 0.0017 Å |
| α | 90° |
| β | 105.015 ± 0.003° |
| γ | 90° |
| Cell volume | 3946.8 ± 1.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.172 |
| Residual factor for significantly intense reflections | 0.0861 |
| Weighted residual factors for significantly intense reflections | 0.24 |
| Weighted residual factors for all reflections included in the refinement | 0.2329 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1519497.cif |
| 143010 | 2015-07-10 | cif/ Updating files of 1519497 Original log message: Adding full bibliography for 1519497.cif. |
1519497.cif |
| 136065 | 2015-05-12 | cif/ Adding structures of 1519497 via cif-deposit CGI script. |
1519497.cif |
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