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Information card for entry 7708227
Preview
| Coordinates | 7708227.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H24 N2 O2 Se2 |
|---|---|
| Calculated formula | C28 H24 N2 O2 Se2 |
| SMILES | [Se]([Se]c1c(C)cccc1/N=C/c1c(O)cccc1)c1c(cccc1/N=C/c1ccccc1O)C |
| Title of publication | Janus-Faced Oxidant and Antioxidant Profiles of Organo Diselenides |
| Authors of publication | Upadhyay, Aditya; Jha, Raushan Kumar; BATABYAL, MONOJIT; Dutta, Tanoy; Koner, Apurba Lal; Kumar, Sangit |
| Journal of publication | Dalton Transactions |
| Year of publication | 2021 |
| a | 8.0735 ± 0.0002 Å |
| b | 8.0735 ± 0.0002 Å |
| c | 31.3692 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1770.75 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 145 |
| Hermann-Mauguin space group symbol | P 32 |
| Hall space group symbol | P 32 |
| Residual factor for all reflections | 0.049 |
| Residual factor for significantly intense reflections | 0.0351 |
| Weighted residual factors for significantly intense reflections | 0.0598 |
| Weighted residual factors for all reflections included in the refinement | 0.0646 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.965 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269037 (current) | 2021-09-08 | cif/ Adding structures of 7708227, 7708228, 7708229, 7708230, 7708231, 7708232 via cif-deposit CGI script. |
7708227.cif |
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Users of the data should acknowledge the original authors of the
structural data.