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Information card for entry 7228383
Preview
| Coordinates | 7228383.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H27 Cl F6 Ir N4 P |
|---|---|
| Calculated formula | C20 H27 Cl F6 Ir N4 P |
| Title of publication | Reactions between hydroxyl-substituted alkylperoxy radicals and Criegee intermediates: correlations of the electronic characteristics of methyl substituents and the reactivity. |
| Authors of publication | Zhao, Qiangli; Liu, Fengyi; Wang, Weina; Li, Chunying; Lü, Jian; Wang, Wenliang |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2017 |
| a | 9.121 ± 0.005 Å |
| b | 28.247 ± 0.005 Å |
| c | 9.246 ± 0.005 Å |
| α | 90° |
| β | 93.306 ± 0.005° |
| γ | 90° |
| Cell volume | 2378.2 ± 1.9 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0605 |
| Residual factor for significantly intense reflections | 0.0399 |
| Weighted residual factors for significantly intense reflections | 0.0823 |
| Weighted residual factors for all reflections included in the refinement | 0.089 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197515 (current) | 2017-06-05 | cif/ Adding structures of 7228383, 7228384, 7228385 via cif-deposit CGI script. |
7228383.cif |
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Users of the data should acknowledge the original authors of the
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