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Information card for entry 1572803
Preview
| Coordinates | 1572803.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36.5 H23 Cl N12 O12 |
|---|---|
| Calculated formula | C36.5 H23 Cl N12 O12 |
| Title of publication | Diazenium Betaines Derived from the Stable Free Radical DPPH with Diradicaloid Behavior |
| Authors of publication | Dobre, Adela F.; Mădălan, Augustin M.; Hanganu, Anamaria; Ionita, Petre |
| Journal of publication | Chemistry |
| Year of publication | 2024 |
| Journal volume | 6 |
| Journal issue | 5 |
| Pages of publication | 899 - 910 |
| a | 40.203 ± 0.002 Å |
| b | 7.4012 ± 0.0004 Å |
| c | 13.2318 ± 0.0006 Å |
| α | 90° |
| β | 96.998 ± 0.004° |
| γ | 90° |
| Cell volume | 3907.8 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0718 |
| Residual factor for significantly intense reflections | 0.0589 |
| Weighted residual factors for significantly intense reflections | 0.185 |
| Weighted residual factors for all reflections included in the refinement | 0.2005 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295353 (current) | 2024-10-06 | cif/ Adding structures of 1572803 via cif-deposit CGI script. |
1572803.cif |
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