Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7708232
Preview
| Coordinates | 7708232.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H56 N2 O2 Se2 |
|---|---|
| Calculated formula | C42 H56 N2 O2 Se2 |
| 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 | 10.2947 ± 0.0003 Å |
| b | 13.243 ± 0.0004 Å |
| c | 16.0604 ± 0.0005 Å |
| α | 71.613 ± 0.002° |
| β | 89.239 ± 0.002° |
| γ | 72.347 ± 0.002° |
| Cell volume | 1971.7 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.105 |
| Residual factor for significantly intense reflections | 0.0707 |
| Weighted residual factors for significantly intense reflections | 0.1911 |
| Weighted residual factors for all reflections included in the refinement | 0.2112 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
| 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. |
7708232.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.