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Information card for entry 7240255
Preview
| Coordinates | 7240255.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H16 Ge O2 |
|---|---|
| Calculated formula | C18 H16 Ge O2 |
| SMILES | [Ge](OO)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Hydroperoxo double hydrogen bonding: stabilization of hydroperoxo complexes exemplified by triphenylsilicon and triphenylgermanium hydroperoxides |
| Authors of publication | Medvedev, Alexander G.; Grishanov, Dmitry A.; Churakov, Andrei V.; Mikhaylov, Alexey A.; Lev, Ovadia; Prikhodchenko, Petr V. |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| Journal volume | 22 |
| Journal issue | 11 |
| Pages of publication | 1922 - 1928 |
| a | 9.8517 ± 0.0003 Å |
| b | 11.4503 ± 0.0003 Å |
| c | 15.0058 ± 0.0004 Å |
| α | 88.4868 ± 0.0009° |
| β | 89.8466 ± 0.001° |
| γ | 65.3416 ± 0.0009° |
| Cell volume | 1537.77 ± 0.07 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0517 |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for significantly intense reflections | 0.1003 |
| Weighted residual factors for all reflections included in the refinement | 0.1052 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7240255.cif |
| 257484 | 2020-10-06 | cif/ Updating files of 7240253, 7240254, 7240255 Original log message: Adding full bibliography for 7240253--7240255.cif. |
7240255.cif |
| 250131 | 2020-04-04 | cif/ Adding structures of 7240253, 7240254, 7240255 via cif-deposit CGI script. |
7240255.cif |
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Users of the data should acknowledge the original authors of the
structural data.