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Information card for entry 7245297
Preview
| Coordinates | 7245297.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H29 K O6 |
|---|---|
| Calculated formula | C12 H29 K O6 |
| Title of publication | Non-covalent interactions of hydroperoxo group in crystalline adducts of organic hydroperoxides and their potassium salts |
| Authors of publication | Buldashov, Ivan A.; Medvedev, Alexander G.; Mikhaylov, Alexey A.; Andrei, Churakov; Lev, Ovadia; Prikhodchenko, Petr V. |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 8.5398 ± 0.0003 Å |
| b | 11.8631 ± 0.0004 Å |
| c | 17.8926 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1812.67 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0417 |
| Residual factor for significantly intense reflections | 0.0338 |
| Weighted residual factors for significantly intense reflections | 0.059 |
| Weighted residual factors for all reflections included in the refinement | 0.0613 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277221 (current) | 2022-08-13 | cif/ Adding structures of 7245297, 7245298, 7245299 via cif-deposit CGI script. |
7245297.cif |
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