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Information card for entry 7245298
Preview
| Coordinates | 7245298.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H23 K O8 |
|---|---|
| Calculated formula | C12 H23 K O8 |
| 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 | 24.9888 ± 0.001 Å |
| b | 6.3547 ± 0.0003 Å |
| c | 9.8148 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1558.55 ± 0.12 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.0596 |
| Residual factor for significantly intense reflections | 0.0551 |
| Weighted residual factors for significantly intense reflections | 0.1355 |
| Weighted residual factors for all reflections included in the refinement | 0.1377 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.166 |
| 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. |
7245298.cif |
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Users of the data should acknowledge the original authors of the
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