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Information card for entry 7710502
Preview
| Coordinates | 7710502.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H14 O4 Se |
|---|---|
| Calculated formula | C16 H14 O4 Se |
| SMILES | [Se](Cc1cc(=O)oc2c1ccc(O)c2)c1ccccc1.O |
| Title of publication | Synthesis and Single Crystal X-ray Study of Phenylselenyl Embedded Coumarin-Based Sensors for Selective Detection of Superoxide |
| Authors of publication | Malankar, Gauri S.; Shelar, Divyesh S.; Butcher, R. J.; Manjare, Sudesh T. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 10.3926 ± 0.0007 Å |
| b | 11.6371 ± 0.0007 Å |
| c | 11.9617 ± 0.0006 Å |
| α | 90° |
| β | 91.69 ± 0.004° |
| γ | 90° |
| Cell volume | 1446.02 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0879 |
| Residual factor for significantly intense reflections | 0.0514 |
| Weighted residual factors for significantly intense reflections | 0.1099 |
| Weighted residual factors for all reflections included in the refinement | 0.1233 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276071 (current) | 2022-06-17 | cif/ Adding structures of 7710502, 7710503 via cif-deposit CGI script. |
7710502.cif |
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