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Information card for entry 7243991
Preview
| Coordinates | 7243991.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H16 Cl N O2 |
|---|---|
| Calculated formula | C9 H16 Cl N O2 |
| SMILES | [Cl-].[N+](C)(C)(C)c1ccccc1.OO |
| Title of publication | Novel peroxosolvates of tetraalkylammonium halides: the first case of layers containing hydrogen-bonded peroxide molecules |
| Authors of publication | Navasardyan, Mger A.; Bezzubov, Stanislav I.; Medvedev, Alexander G.; Prikhodchenko, Petr V.; Churakov, Andrei V. |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| Journal volume | 24 |
| Journal issue | 1 |
| Pages of publication | 38 - 42 |
| a | 7.242 ± 0.0003 Å |
| b | 10.069 ± 0.0004 Å |
| c | 14.7992 ± 0.0006 Å |
| α | 90° |
| β | 100.379 ± 0.002° |
| γ | 90° |
| Cell volume | 1061.5 ± 0.07 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0302 |
| Residual factor for significantly intense reflections | 0.027 |
| Weighted residual factors for significantly intense reflections | 0.0713 |
| Weighted residual factors for all reflections included in the refinement | 0.0735 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272598 (current) | 2022-02-04 | cif/ Updating files of 7243990, 7243991, 7243992, 7243993 Original log message: Adding full bibliography for 7243990--7243993.cif. |
7243991.cif |
| 270988 | 2021-12-03 | cif/ Adding structures of 7243990, 7243991, 7243992, 7243993 via cif-deposit CGI script. |
7243991.cif |
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Users of the data should acknowledge the original authors of the
structural data.